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Screening compounds

Bbr 2160

Also known as Bbr-2160, 3,5-Pyridinedicarboxylic acid, 2-(((2-(formylamino)ethyl)thio)methyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester, 3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

CAS 118587-22-7Formula C21H25N3O7SMolar mass 463.51 g/mol
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Bbr 2160 chemical structure, C21H25N3O7S, CAS 118587-22-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
118587-22-7
Formula
C21H25N3O7S
Molar mass
463.51 g/mol
HS code
293339
Category
Screening compounds

What is Bbr 2160?

Plain description, key identifiers and synonyms

Bbr 2160 is a chemical substance with the molecular formula C21H25N3O7S and a molar mass of 463.51 g/mol. Its CAS registry number is 118587-22-7. The IUPAC name is 3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS number
118587-22-7 CAS number cross-checked
Molecular formula
C21H25N3O7S
UNII
GDI0D01TM4
InChIKey
CLMNTOZRDYXVRT-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N3O7S/c1-4-31-21(27)19-16(11-32-9-8-22-12-25)23-13(2)17(20(26)30-3)18(19)14-6-5-7-15(10-14)24(28)29/h5-7,10,12,18,23H,4,8-9,11H2,1-3H3,(H,22,25)
SMILES (canonical and isomeric)
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSCCNC=O

Synonyms

  • Bbr-2160
  • 3,5-Pyridinedicarboxylic acid, 2-(((2-(formylamino)ethyl)thio)methyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester
  • 3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • 3,5-Pyridinedicarboxylicacid,2-[[[2-(formylamino)ethyl]thio]methyl]-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-,3-ethyl 5-methyl ester
  • [2-({[3-(Ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl}sulfanyl)ethyl]methanimidic 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
463.51 g/molcalc.
Exact mass
463.1413 Dacalc.
LogP (octanol/water)
2.02calc.
Topological polar surface area
136.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
11calc.
Heavy atoms
32calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
1calc.
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

Murcko scaffold of this chemical, C1=CC(c2ccccc2)C=CN1

C1=CC(c2ccccc2)C=CN1

2 rings, 12 atoms.

669 other chemicals 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.

Bbr 2160 suppliers

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Bbr 2160 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

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 Bbr 2160 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for Bbr 2160 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bbr 2160, based on the data on this page

What is Bbr 2160?

Bbr 2160 is a chemical substance with the molecular formula C21H25N3O7S and a molar mass of 463.51 g/mol. Its CAS registry number is 118587-22-7. The IUPAC name is 3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

What is the CAS number of Bbr 2160?

The CAS registry number of Bbr 2160 is 118587-22-7.

What is the molecular formula and weight of Bbr 2160?

The molecular formula of Bbr 2160 is C21H25N3O7S and its molar mass is 463.51 g/mol.

What is Bbr 2160 used for?

Known uses and roles of Bbr 2160 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bbr 2160 hazardous?

No GHS hazard classification for Bbr 2160 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 Bbr 2160?

Bbr 2160 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bbr 2160?

Post a free request on CompoundList and suppliers of Bbr 2160 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bbr 2160?

Suppliers quote Bbr 2160 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 Bbr 2160

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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