Orb1907701 (CAS 302918-83-8): price, suppliers and safety

What is Orb1907701?

Plain description, key identifiers and synonyms

Orb1907701 is a chemical substance with the molecular formula C31H32N2O7S and a molar mass of 576.67 g/mol. Its CAS registry number is 302918-83-8. The IUPAC name is 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-sulfanylidenepyrimidin-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-sulfanylidenepyrimidin-4-one
CAS number: 302918-83-8
Molecular formula: C₃₁H₃₂N₂O₇S
InChIKey: KWAXQCAGJXIZKB-YXINZVNLSA-N
InChI: InChI=1S/C31H32N2O7S/c1-36-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(37-2)16-12-22)39-19-25-27(35)28(38-3)29(40-25)33-18-17-26(34)32-30(33)41/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,41)/t25-,27-,28-,29-/m1/s1
Canonical SMILES: COc1ccc(C(OCC2OC(n3ccc(=O)[nH]c3=S)C(OC)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1
Isomeric SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=S)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O

Synonyms

1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-sulfanylidenepyrimidin-4-one

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	576.67 g/molcalc.
Exact mass	576.193 Dacalc.
LogP (octanol/water)	4.21calc.
Topological polar surface area	104.2 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	8calc.
Rotatable bonds	10calc.
Heavy atoms	41calc.
Rings	5calc.
Aromatic rings	4calc.
Fraction sp3 carbons	0.29calc.
Formal charge	0calc.
Stereocentres	4calc.
Lipinski rule of five	Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=c1ccn(C2CCC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=S)[nH]1

5 rings, 34 atoms.

9 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.

Orb1907701 suppliers

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Orb1907701 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb1907701 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024

$26.7B

+15.0% vs 2023, imports $26.3B

2019 to 2024

Top exporters

Ireland26.3%
China15.7%
Singapore10.3%

Top importers

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

The HS code shown for Orb1907701 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

1-((2R,3R,4S,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one chemical structure, C30H30N2O7S, CAS 163496-06-8

5'-O-(Bis(4-methoxyphenyl)(phenyl)methyl)-2'-O-methyluridine chemical structure, C31H32N2O8, CAS 103285-22-9

1-[5-o-(4,4'-Dimethoxytrityl)-2-o-methyl-beta-d-arabinofuranosyl]uracil chemical structure, C31H32N2O8, CAS 1239669-76-1

5'-O-(4,4'-Dimethoxytrityl)-3'-O-methyluridine chemical structure, C31H32N2O8, CAS 127212-40-2

DMT(-5)D-Araf2Ac(b)-uracil-1-yl chemical structure, C32H32N2O9, CAS 173099-62-2

5'-O-(Bis(4-methoxyphenyl)phenylmethyl)uridine chemical structure, C30H30N2O8, CAS 81246-79-9

5'-O-[(4-Methoxyphenyl)(diphenyl)methyl]uridine chemical structure, C29H28N2O7, CAS 51600-12-5

1-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-(2-methoxyethoxy)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione chemical structure, C33H36N2O9, CAS 251647-51-5

1-[(2R,3R,4R,5R)-5-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-3-ethynoxy-4-hydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione chemical structure, C32H30N2O8, CAS 2940873-08-3

5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-5-iodo-2'-O-methyl-uridine chemical structure, C31H31IN2O8, CAS 588691-24-1

Same formula isomers

Different compounds that share this molecular formula

All isomers

Ethyl 2-(2-(4-(allyloxy)phenyl)-3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate chemical structure, C31H32N2O7S, CAS 609795-33-7

Ethyl 2-(2-(4-(allyloxy)phenyl)-3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate609795-33-7C₃₁H₃₂N₂O₇S

Allyl 2-[3-(4-butoxybenzoyl)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate chemical structure, C31H32N2O7S, CAS 609796-55-6

Allyl 2-[3-(4-butoxybenzoyl)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate609796-55-6C₃₁H₃₂N₂O₇S

((s)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(benzyloxy)-4-oxobutanoyl)-d-methionine chemical structure, C31H32N2O7S, CAS 2171258-33-4

((s)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(benzyloxy)-4-oxobutanoyl)-d-methionine2171258-33-4C₃₁H₃₂N₂O₇S

(2S)-2-[(2S)-4-(Benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanamido]-4-(methylsulfanyl)butanoic acid chemical structure, C31H32N2O7S, CAS 916065-91-3

(2S)-2-[(2S)-4-(Benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanamido]-4-(methylsulfanyl)butanoic acid916065-91-3C₃₁H₃₂N₂O₇S

2-[(2S)-4-(Benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-[2-(methylsulfanyl)ethyl]-4-oxobutanamido]acetic acid chemical structure, C31H32N2O7S, CAS 2171278-03-6

2-[(2S)-4-(Benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-[2-(methylsulfanyl)ethyl]-4-oxobutanamido]acetic acid2171278-03-6C₃₁H₃₂N₂O₇S

5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-5-methyl-4'-thiouridine chemical structure, C31H32N2O7S, CAS 142115-08-0

5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-5-methyl-4'-thiouridine142115-08-0C₃₁H₃₂N₂O₇S

Frequently asked questions

Quick answers about Orb1907701, based on the data on this page

What is Orb1907701?

Orb1907701 is a chemical substance with the molecular formula C31H32N2O7S and a molar mass of 576.67 g/mol. Its CAS registry number is 302918-83-8. The IUPAC name is 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-sulfanylidenepyrimidin-4-one.

What is the CAS number of Orb1907701?

The CAS registry number of Orb1907701 is 302918-83-8.

What is the molecular formula and weight of Orb1907701?

The molecular formula of Orb1907701 is C31H32N2O7S and its molar mass is 576.67 g/mol.

Is Orb1907701 hazardous?

No GHS hazard classification for Orb1907701 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 Orb1907701?

Orb1907701 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1907701?

Post a free request on CompoundList and suppliers of Orb1907701 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1907701?

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Orb1907701

Key facts

What is Orb1907701?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb1907701 suppliers

Orb1907701 price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Orb1907701?

What is the CAS number of Orb1907701?

What is the molecular formula and weight of Orb1907701?

Is Orb1907701 hazardous?

What is the HS code of Orb1907701?

Where can I buy Orb1907701?

What is the price of Orb1907701?

Guides for buyers

Get quotes for Orb1907701

Key facts

What is Orb1907701?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb1907701 suppliers

Orb1907701 price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Orb1907701?

What is the CAS number of Orb1907701?

What is the molecular formula and weight of Orb1907701?

Is Orb1907701 hazardous?

What is the HS code of Orb1907701?

Where can I buy Orb1907701?

What is the price of Orb1907701?

Guides for buyers

Get quotes for Orb1907701