2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate
TL;DR: 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate (CAS 326886-46-8) 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-oxo-2-thiophen-2-ylethyl) 4-chlorobenzoate
Also Known As: 2-oxo-2-(2-thienyl)ethyl 4-chlorobenzoate, (2-oxo-2-thiophen-2-ylethyl) 4-chlorobenzoate, 2-oxo-2-(thiophen-2-yl)ethyl 4-chlorobenzoate, F1018-1386
| Molecular Formula | C13H9ClO3S |
|---|---|
| Molecular Weight | 280.00 g/mol |
| LogP | 3.4412 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.9961 |
| Heavy Atoms | 18 |
| Complexity | 546.1251 |
Chemical Identifiers
| CAS Number | 326886-46-8 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate (CAS 326886-46-8), with molecular formula C13H9ClO3S and molecular weight 280.00 g/mol. IUPAC: (2-oxo-2-thiophen-2-ylethyl) 4-chlorobenzoate.
Chemical Property Profile of 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate
Property Insights of 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate
The XLogP value of 3.4412 indicates that 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate 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-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate?
The CAS number of 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate is 326886-46-8.
What is the molecular formula of 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate?
The molecular formula of 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate is C13H9ClO3S.
What is the molecular weight of 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate?
The molecular weight of 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate is 280.00 g/mol.
Where can I buy 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate?
You can request a quote for 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(2-thienyl)ethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.