3'-Chlorooxanilic acid isopropyl ester
TL;DR: 3'-Chlorooxanilic acid isopropyl ester (CAS 7399-76-0) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(3-chloroanilino)-2-oxoacetate
Also Known As: 3'-Chlorooxanilic acid isopropyl ester, N- oxamidicacidisopropylester, Oxanilic acid, isopropyl ester, Acetic acid, 1-methylethyl ester, OXANILIC ACID, 3'-CHLORO-, ISOPROPYL ESTER
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.05057 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 7399-76-0 |
|---|---|
| SMILES | CC(C)OC(=O)C(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | AKQLILNIFMOGQL-UHFFFAOYSA-N |
Product Overview
3'-Chlorooxanilic acid isopropyl ester (CAS 7399-76-0), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: propan-2-yl 2-(3-chloroanilino)-2-oxoacetate.
Chemical Property Profile of 3'-Chlorooxanilic acid isopropyl ester
Property Insights of 3'-Chlorooxanilic acid isopropyl ester
The XLogP value of 3.4 indicates that 3'-Chlorooxanilic acid isopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3'-Chlorooxanilic acid isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Chlorooxanilic acid isopropyl ester has 1 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 3'-Chlorooxanilic acid isopropyl ester?
The CAS number of 3'-Chlorooxanilic acid isopropyl ester is 7399-76-0.
What is the molecular formula of 3'-Chlorooxanilic acid isopropyl ester?
The molecular formula of 3'-Chlorooxanilic acid isopropyl ester is C11H12ClNO3.
What is the molecular weight of 3'-Chlorooxanilic acid isopropyl ester?
The molecular weight of 3'-Chlorooxanilic acid isopropyl ester is 241.05 g/mol.
Where can I buy 3'-Chlorooxanilic acid isopropyl ester?
You can request a quote for 3'-Chlorooxanilic acid isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Chlorooxanilic acid isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3'-Chlorooxanilic acid isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.