Dbibb (CAS 1569309-92-7): properties, price, suppliers and safety

What is Dbibb?

Plain description, key identifiers and synonyms

Dbibb is a chemical substance with the molecular formula C23H20N2O6S and a molar mass of 452.49 g/mol. Its CAS registry number is 1569309-92-7. The IUPAC name is 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid
CAS number: 1569309-92-7
Molecular formula: C₂₃H₂₀N₂O₆S
MDL number: MFCD30719258
InChIKey: POLJNARIJSROOS-UHFFFAOYSA-N
InChI: InChI=1S/C23H20N2O6S/c26-21-17-10-5-7-15-8-6-11-18(20(15)17)22(27)25(21)14-4-3-13-24-32(30,31)19-12-2-1-9-16(19)23(28)29/h1-2,5-12,24H,3-4,13-14H2,(H,28,29)
SMILES (canonical and isomeric): C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Synonyms

2-[4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-butylsulfamoyl]-benzoic acid
2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid
2-(N-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butyl)sulfamoyl)benzoic acid
2-[[[4-(1,3-dioxo-1h-benz[de]isoquinolin-2(3h)-yl)butyl]amino]sulfonyl]-benzoic acid
2-[4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	452.49 g/molcalc.
Exact mass	452.1042 Dacalc.
LogP (octanol/water)	2.89calc.
Topological polar surface area	120.9 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	5calc.
Rotatable bonds	8calc.
Heavy atoms	32calc.
Rings	4calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.17calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C1c2cccc3cccc(c23)C(=O)N1CCCCNS(=O)(=O)c1ccccc1

4 rings, 29 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Dbibb suppliers

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Dbibb price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Dbibb is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024

$5.64B

−11.0% vs 2023, imports $8.56B

2019 to 2024

Top exporters

Ireland43.1%
China12.0%
India * partner reported9.5%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Dbibb is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

5-Chloro-2-[(4-{2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}butyl)sulfamoyl]benzoic acid chemical structure, C23H19ClN2O6S, CAS 1622006-09-0

Same formula isomers

Different compounds that share this molecular formula

All isomers

Allyl 6-[4-(2-furoyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate chemical structure, C23H20N2O6S, CAS 380888-05-1

Allyl 6-[4-(2-furoyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate380888-05-1C₂₃H₂₀N₂O₆S

(6R,7R)-7-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid chemical structure, C23H20N2O6S, CAS 2361573-80-8

(6R,7R)-7-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid2361573-80-8C₂₃H₂₀N₂O₆S

Ethyl (2E)-5-(4-(acetyloxy)phenyl)-2-(2-furylmethylene)-7-methyl-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate chemical structure, C23H20N2O6S, CAS 313966-49-3

Ethyl (2E)-5-(4-(acetyloxy)phenyl)-2-(2-furylmethylene)-7-methyl-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate313966-49-3C₂₃H₂₀N₂O₆S

4-(4-Ethoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one chemical structure, C23H20N2O6S, CAS 378766-29-1

4-(4-Ethoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one378766-29-1C₂₃H₂₀N₂O₆S

Ethyl 2-[3-(furan-2-ylcarbonyl)-4-hydroxy-2-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate chemical structure, C23H20N2O6S, CAS 378767-83-0

Ethyl 2-[3-(furan-2-ylcarbonyl)-4-hydroxy-2-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate378767-83-0C₂₃H₂₀N₂O₆S

Ethyl 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate chemical structure, C23H20N2O6S, CAS 380577-55-9

Ethyl 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate380577-55-9C₂₃H₂₀N₂O₆S

Methyl 2-[(3E)-3-[hydroxy(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate chemical structure, C23H20N2O6S, CAS 371925-78-9

Methyl 2-[(3E)-3-[hydroxy(5-methylfuran-2-yl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate371925-78-9C₂₃H₂₀N₂O₆S

(Z)-Methyl 5-(4-acetoxyphenyl)-7-methyl-2-((5-methylfuran-2-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate chemical structure, C23H20N2O6S, CAS 378768-09-3

(Z)-Methyl 5-(4-acetoxyphenyl)-7-methyl-2-((5-methylfuran-2-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate378768-09-3C₂₃H₂₀N₂O₆S

N-(2-Hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide chemical structure, C23H20N2O6S, CAS 833438-00-9

N-(2-Hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide833438-00-9C₂₃H₂₀N₂O₆S

Ethyl 2-{(3E)-2-(furan-2-yl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate chemical structure, C23H20N2O6S, CAS 371928-07-3

Ethyl 2-{(3E)-2-(furan-2-yl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate371928-07-3C₂₃H₂₀N₂O₆S

$N-{6,9-Dimethyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide chemical structure, C23H20N2O6S, CAS 922094-68-6$

N-{6,9-Dimethyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide922094-68-6C₂₃H₂₀N₂O₆S

7-(3-(2-Amino-2-oxoethoxy)-4-methoxyphenyl)-4,5,6,7-tetrahydro-5-oxo-3-phenylthieno(3,2-b)pyridine-2-carboxylic acid chemical structure, C23H20N2O6S, CAS 1020243-03-1

7-(3-(2-Amino-2-oxoethoxy)-4-methoxyphenyl)-4,5,6,7-tetrahydro-5-oxo-3-phenylthieno(3,2-b)pyridine-2-carboxylic acid1020243-03-1C₂₃H₂₀N₂O₆S

Frequently asked questions

Quick answers about Dbibb, based on the data on this page

What is Dbibb?

Dbibb is a chemical substance with the molecular formula C23H20N2O6S and a molar mass of 452.49 g/mol. Its CAS registry number is 1569309-92-7. The IUPAC name is 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid.

What is the CAS number of Dbibb?

The CAS registry number of Dbibb is 1569309-92-7.

What is the molecular formula and weight of Dbibb?

The molecular formula of Dbibb is C23H20N2O6S and its molar mass is 452.49 g/mol.

What is Dbibb used for?

Known uses and roles of Dbibb include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Dbibb hazardous?

No GHS hazard classification for Dbibb is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Dbibb?

Dbibb is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dbibb?

Post a free request on CompoundList and suppliers of Dbibb will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Dbibb?

Suppliers quote Dbibb on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Dbibb

Dbibb

Key facts

What is Dbibb?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Dbibb suppliers

Dbibb price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Dbibb?

What is the CAS number of Dbibb?

What is the molecular formula and weight of Dbibb?

What is Dbibb used for?

Is Dbibb hazardous?

What is the HS code of Dbibb?

Where can I buy Dbibb?

What is the price of Dbibb?

Guides for buyers

Get quotes for Dbibb

Key facts

What is Dbibb?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Dbibb suppliers

Dbibb price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Dbibb?

What is the CAS number of Dbibb?

What is the molecular formula and weight of Dbibb?

What is Dbibb used for?

Is Dbibb hazardous?

What is the HS code of Dbibb?

Where can I buy Dbibb?

What is the price of Dbibb?

Guides for buyers

Get quotes for Dbibb