3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
TL;DR: 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid (CAS 89639-87-2) is a chemical compound with molecular formula C11H9ClO2S and molecular weight 240.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
Also Known As: 3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid, 3-chloro-6-ethylbenzo[b]thiophene-2-carboxylic acid, (Furan-2-ylmethylsulfanyl)-acetic acid, 3-chloro-6-ethyl-benzothiophene-2-carboxylic Acid, 3-chloro-6-ethylbenzo[b]thiophene-2-carboxylic aci
| Molecular Formula | C11H9ClO2S |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 3.8153 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.00117 |
| Heavy Atoms | 15 |
| Complexity | 530.6126 |
Chemical Identifiers
| CAS Number | 89639-87-2 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)C(=C(S2)C(=O)O)Cl |
Product Overview
3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid (CAS 89639-87-2), with molecular formula C11H9ClO2S and molecular weight 240.00 g/mol. IUPAC: 3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
Property Insights of 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
The XLogP value of 3.8153 indicates that 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid?
The CAS number of 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid is 89639-87-2.
What is the molecular formula of 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid?
The molecular formula of 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid is C11H9ClO2S.
What is the molecular weight of 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid?
The molecular weight of 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid is 240.00 g/mol.
Where can I buy 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid?
You can request a quote for 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-ethyl-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.