2-Thiophenecarboxylic acid, 4-chlorophenyl ester
TL;DR: 2-Thiophenecarboxylic acid, 4-chlorophenyl ester (CAS 3441-41-6) 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.
(4-chlorophenyl) thiophene-2-carboxylate
Also Known As: 4-chlorophenyl thiophene-2-carboxylate, (4-chlorophenyl) thiophene-2-carboxylate, 4-chlorophenyl 2-thiophenecarboxylate, 2-Thiophenecarboxylic acid, 4-chlorophenyl ester, 4-chlorophenyl-2-thiophenecarboxylate
| Molecular Formula | C11H7ClO2S |
|---|---|
| Molecular Weight | 237.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.98553 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 3441-41-6 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)Cl |
| InChIKey | RHDSCYYKAZNOCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, 4-chlorophenyl ester (CAS 3441-41-6), with molecular formula C11H7ClO2S and molecular weight 237.99 g/mol. IUPAC: (4-chlorophenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 4-chlorophenyl ester
Property Insights of 2-Thiophenecarboxylic acid, 4-chlorophenyl ester
The XLogP value of 4.1 indicates that 2-Thiophenecarboxylic acid, 4-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-Thiophenecarboxylic acid, 4-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 4-chlorophenyl ester has 0 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 2-Thiophenecarboxylic acid, 4-chlorophenyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 4-chlorophenyl ester is 3441-41-6.
What is the molecular formula of 2-Thiophenecarboxylic acid, 4-chlorophenyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 4-chlorophenyl ester is C11H7ClO2S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 4-chlorophenyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 4-chlorophenyl ester is 237.99 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 4-chlorophenyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 4-chlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, 4-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 4-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.