2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate
TL;DR: 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate (CAS 799259-58-8) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-thiophen-2-ylethyl) 3-acetamido-4-methylbenzoate
Also Known As: BAS 06811336, 2-oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate, (2-oxo-2-thiophen-2-ylethyl) 3-acetamido-4-methylbenzoate, 3-Acetylamino-4-methyl-benzoic acid 2-oxo-2-thiophen-2-yl-ethyl ester
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 3.05462 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 706.9408 |
Chemical Identifiers
| CAS Number | 799259-58-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CS2)NC(=O)C |
Product Overview
2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate (CAS 799259-58-8), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: (2-oxo-2-thiophen-2-ylethyl) 3-acetamido-4-methylbenzoate.
Chemical Property Profile of 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate
Property Insights of 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate
The XLogP value of 3.05462 indicates that 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate. Following Lipinski's Rule of Five, 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate has 1 hydrogen bond donor(s) and 5 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 3-(acetylamino)-4-methylbenzoate?
The CAS number of 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate is 799259-58-8.
What is the molecular formula of 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate?
The molecular formula of 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate is C16H15NO4S.
What is the molecular weight of 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate?
The molecular weight of 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate is 317.07 g/mol.
Where can I buy 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate?
You can request a quote for 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate 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 3-(acetylamino)-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(2-thienyl)ethyl 3-(acetylamino)-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.