Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester
TL;DR: Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester (CAS 52947-34-9) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-1-benzothiophene-2-carboximidate
Also Known As: Methyl 3-hydroxybenzo(b)thiophene-2-carboximidate, Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester, Methyl 3-hydroxy-benzo(b)thiophene-2-carboximidate, Methyl 3-Hydroxy-Benzo[b]Thiopene-2-Carboximidate, methyl 3-hydroxy-benzo[b]thiophene-2-carboximidate
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.57867 |
| Topological Polar Surface Area | 53.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 489.8277 |
Chemical Identifiers
| CAS Number | 52947-34-9 |
|---|---|
| SMILES | COC(=N)C1=C(C2=CC=CC=C2S1)O |
Product Overview
Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester (CAS 52947-34-9), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: methyl 3-hydroxy-1-benzothiophene-2-carboximidate.
Chemical Property Profile of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester
Property Insights of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester
The XLogP value of 2.57867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester. With a topological polar surface area (TPSA) of 53.31 Ų, Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester has 2 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-carboximidic acid, 3-hydroxy-, methyl ester?
The CAS number of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester is 52947-34-9.
What is the molecular formula of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester?
The molecular formula of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester is C10H9NO2S.
What is the molecular weight of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester?
The molecular weight of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester is 207.04 g/mol.
Where can I buy Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester?
You can request a quote for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester 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-carboximidic acid, 3-hydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.