Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester
TL;DR: Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester (CAS 52947-45-2) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 3-hydroxy-1-benzothiophene-2-carboximidate
Also Known As: 2-Ethoxyethyl 3-hydroxybenzo(b)thiophene-2-carboximidate, Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester, (2Z)-2-[amino(2-ethoxyethoxy)methylidene]-1-benzothiophen-3-one, RefChem:1078815
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 2.98537 |
| Topological Polar Surface Area | 62.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 550.16 |
Chemical Identifiers
| CAS Number | 52947-45-2 |
|---|---|
| SMILES | CCOCCOC(=N)C1=C(C2=CC=CC=C2S1)O |
Product Overview
Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester (CAS 52947-45-2), with molecular formula C13H15NO3S and molecular weight 265.08 g/mol. IUPAC: 2-ethoxyethyl 3-hydroxy-1-benzothiophene-2-carboximidate.
Chemical Property Profile of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester
Property Insights of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester
The XLogP value of 2.98537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester. The TPSA of 62.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester. Following Lipinski's Rule of Five, Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester has 2 hydrogen bond donor(s) and 5 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-, 2-ethoxyethyl ester?
The CAS number of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester is 52947-45-2.
What is the molecular formula of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester?
The molecular formula of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester is C13H15NO3S.
What is the molecular weight of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester?
The molecular weight of Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester is 265.08 g/mol.
Where can I buy Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester?
You can request a quote for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl 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-, 2-ethoxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.