3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid
TL;DR: 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid (CAS 14006-56-5) is a chemical compound with molecular formula C11H7ClO2S and molecular weight 237.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoic acid
Also Known As: 3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoic acid, (2E)-3-(3-CHLORO-1-BENZOTHIOPHEN-2-YL)PROP-2-ENOIC ACID, (2E)-3-(3-chloro-1-benzothien-2-yl)acrylic acid, (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoic acid, (E)-3-(3-chlorobenzo[b]thiophen-2-yl)acrylic acid
| Molecular Formula | C11H7ClO2S |
|---|---|
| Molecular Weight | 237.99 g/mol |
| LogP | 3.6525 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.98553 |
| Heavy Atoms | 15 |
| Complexity | 542.51154 |
Chemical Identifiers
| CAS Number | 14006-56-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)/C=C/C(=O)O)Cl |
Product Overview
3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid (CAS 14006-56-5), with molecular formula C11H7ClO2S and molecular weight 237.99 g/mol. IUPAC: (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid
Property Insights of 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid
The XLogP value of 3.6525 indicates that 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic 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-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic 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-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid?
The CAS number of 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid is 14006-56-5.
What is the molecular formula of 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid?
The molecular formula of 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid is C11H7ClO2S.
What is the molecular weight of 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid?
The molecular weight of 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid is 237.99 g/mol.
Where can I buy 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid?
You can request a quote for 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-1-benzothiophen-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.