3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid
TL;DR: 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid (CAS 854137-60-3) is a chemical compound with molecular formula C11H7ClO4S and molecular weight 269.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid
Also Known As: 3-(3-chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid, (2E)-3-(3-chloro-1,1-dioxido-1-benzothien-2-yl)acrylic acid, 3-(3-chloro-1,1-dioxo-benzothiophen-2-yl)prop-2-enoic Acid, 3-(3-chloro-1,1-dioxo-1lambda6-benzothiophen-2-yl)prop-2-enoic acid
| Molecular Formula | C11H7ClO4S |
|---|---|
| Molecular Weight | 269.98 g/mol |
| LogP | 2.0221 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.97537 |
| Heavy Atoms | 17 |
| Complexity | 655.80396 |
Chemical Identifiers
| CAS Number | 854137-60-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2(=O)=O)C=CC(=O)O)Cl |
Product Overview
3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid (CAS 854137-60-3), with molecular formula C11H7ClO4S and molecular weight 269.98 g/mol. IUPAC: 3-(3-chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid
Property Insights of 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid
The XLogP value of 2.0221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 3 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-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid?
The CAS number of 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid is 854137-60-3.
What is the molecular formula of 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid?
The molecular formula of 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid is C11H7ClO4S.
What is the molecular weight of 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid?
The molecular weight of 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid is 269.98 g/mol.
Where can I buy 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid?
You can request a quote for 3-(3-Chloro-1,1-dioxo-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-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-1,1-dioxo-1-benzothiophen-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.