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Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-
TL;DR: Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo- (CAS 6421-82-5) is a chemical compound with molecular formula C9H6O3S and molecular weight 194.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-1-benzothiophene-2-carboxylic acid
Also Known As: 2-Carboxy-3-thianaphthenone, 3-oxo-1-benzothiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-, Benzo(b)thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-, 3-oxo-2,3-dihydro-1-benzothiophene-2-carboxylic acid
| Molecular Formula | C9H6O3S |
|---|---|
| Molecular Weight | 194.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.00377 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 6421-82-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(S2)C(=O)O |
| InChIKey | ASIOJPGWNLDLKC-UHFFFAOYSA-N |
Product Overview
Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo- (CAS 6421-82-5), with molecular formula C9H6O3S and molecular weight 194.00 g/mol. IUPAC: 3-oxo-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-
Property Insights of Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-. Following Lipinski's Rule of Five, Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-?
The CAS number of Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo- is 6421-82-5.
What is the molecular formula of Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-?
The molecular formula of Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo- is C9H6O3S.
What is the molecular weight of Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-?
The molecular weight of Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo- is 194.00 g/mol.
Where can I buy Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-?
You can request a quote for Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.