4-Chlorobenzyl 2-thiophenecarboxylate
TL;DR: 4-Chlorobenzyl 2-thiophenecarboxylate (CAS 438593-40-9) is a chemical compound with molecular formula C12H9ClO2S and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl thiophene-2-carboxylate
Also Known As: 4-Chlorobenzyl 2-thiophenecarboxylate, 4-chlorobenzyl thiophene-2-carboxylate, (4-chlorophenyl)methyl thiophene-2-carboxylate, 4-Chlorobenzyl 2-thiophenecarboxylate #, 2-Thiophenecarboxylic acid, 4-chlorobenzyl ester
| Molecular Formula | C12H9ClO2S |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.00117 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 438593-40-9 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)OCC2=CC=C(C=C2)Cl |
| InChIKey | UWHVVRBFKDEOAN-UHFFFAOYSA-N |
Product Overview
4-Chlorobenzyl 2-thiophenecarboxylate (CAS 438593-40-9), with molecular formula C12H9ClO2S and molecular weight 252.00 g/mol. IUPAC: (4-chlorophenyl)methyl thiophene-2-carboxylate.
Chemical Property Profile of 4-Chlorobenzyl 2-thiophenecarboxylate
Property Insights of 4-Chlorobenzyl 2-thiophenecarboxylate
The XLogP value of 3.9 indicates that 4-Chlorobenzyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 4-Chlorobenzyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl 2-thiophenecarboxylate 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 4-Chlorobenzyl 2-thiophenecarboxylate?
The CAS number of 4-Chlorobenzyl 2-thiophenecarboxylate is 438593-40-9.
What is the molecular formula of 4-Chlorobenzyl 2-thiophenecarboxylate?
The molecular formula of 4-Chlorobenzyl 2-thiophenecarboxylate is C12H9ClO2S.
What is the molecular weight of 4-Chlorobenzyl 2-thiophenecarboxylate?
The molecular weight of 4-Chlorobenzyl 2-thiophenecarboxylate is 252.00 g/mol.
Where can I buy 4-Chlorobenzyl 2-thiophenecarboxylate?
You can request a quote for 4-Chlorobenzyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.