2-Acetyl-4-chlorophenyl thiophene-2-carboxylate
TL;DR: 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate (CAS 72641-13-5) is a chemical compound with molecular formula C13H9ClO3S and molecular weight 280.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-4-chlorophenyl) thiophene-2-carboxylate
Also Known As: 2-acetyl-4-chlorophenyl thiophene-2-carboxylate, (2-Acetyl-4-chloro-phenyl)thiophene-2-carboxylate, (2-acetyl-4-chlorophenyl) thiophene-2-carboxylate, (2-acetyl-4-chloro-phenyl) thiophene-2-carboxylate, Thiophen-2-carbonsaeure-<2-acetyl-4-chlor-phenylester>
| Molecular Formula | C13H9ClO3S |
|---|---|
| Molecular Weight | 280.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.9961 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 72641-13-5 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)Cl)OC(=O)C2=CC=CS2 |
| InChIKey | WXIYVHQASAOMLT-UHFFFAOYSA-N |
Product Overview
2-Acetyl-4-chlorophenyl thiophene-2-carboxylate (CAS 72641-13-5), with molecular formula C13H9ClO3S and molecular weight 280.00 g/mol. IUPAC: (2-acetyl-4-chlorophenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate
Property Insights of 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate
The XLogP value of 3.7 indicates that 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 4 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-Acetyl-4-chlorophenyl thiophene-2-carboxylate?
The CAS number of 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate is 72641-13-5.
What is the molecular formula of 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate?
The molecular formula of 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate is C13H9ClO3S.
What is the molecular weight of 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate?
The molecular weight of 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate is 280.00 g/mol.
Where can I buy 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate?
You can request a quote for 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-chlorophenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.