2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate
TL;DR: 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate (CAS 791789-05-4) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 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-(2-methylpropanoylamino)benzoate
Also Known As: BAS 09590589, 2-oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate, (2-oxo-2-thiophen-2-ylethyl) 3-(2-methylpropanoylamino)benzoate, 3-Isobutyrylamino-benzoic acid 2-oxo-2-thiophen-2-yl-ethyl ester
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 3.3823 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 707.14325 |
Chemical Identifiers
| CAS Number | 791789-05-4 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=CS2 |
Product Overview
2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate (CAS 791789-05-4), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: (2-oxo-2-thiophen-2-ylethyl) 3-(2-methylpropanoylamino)benzoate.
Chemical Property Profile of 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate
Property Insights of 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate
The XLogP value of 3.3823 indicates that 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate 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-(isobutyrylamino)benzoate. Following Lipinski's Rule of Five, 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate 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-(isobutyrylamino)benzoate?
The CAS number of 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate is 791789-05-4.
What is the molecular formula of 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate?
The molecular formula of 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate is C17H17NO4S.
What is the molecular weight of 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate?
The molecular weight of 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate is 331.09 g/mol.
Where can I buy 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate?
You can request a quote for 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate 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-(isobutyrylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(2-thienyl)ethyl 3-(isobutyrylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.