Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester
TL;DR: Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester (CAS 52947-35-0) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-1-benzothiophene-2-carboximidate
Also Known As: Ethyl 3-hydroxybenzo(b)thiophene-2-carboximidate, Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester, ethyl 3-hydroxybenzo[b]thiophene-2-carbimidate, ethyl 3-hydroxy-benzo[b]thiophene-2-carboximidate, (2Z)-2-[Amino(ethoxy)methylene]-1-benzothiophen-3(2H)-one
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.96877 |
| Topological Polar Surface Area | 53.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 504.25726 |
Chemical Identifiers
| CAS Number | 52947-35-0 |
|---|---|
| SMILES | CCOC(=N)C1=C(C2=CC=CC=C2S1)O |
Product Overview
Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester (CAS 52947-35-0), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: ethyl 3-hydroxy-1-benzothiophene-2-carboximidate.
Chemical Property Profile of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester
Property Insights of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester
The XLogP value of 2.96877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester. With a topological polar surface area (TPSA) of 53.31 Ų, Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl 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-, ethyl 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-, ethyl ester?
The CAS number of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester is 52947-35-0.
What is the molecular formula of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester?
The molecular formula of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester is C11H11NO2S.
What is the molecular weight of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester?
The molecular weight of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester is 221.05 g/mol.
Where can I buy Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester?
You can request a quote for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl 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-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.