Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester (CAS 136105-89-0) is a chemical compound with molecular formula C14H18ClNO4 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-(propan-2-yloxycarbonylamino)benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester, propan-2-yl 2-chloro-5-{[(propan-2-yloxy)carbonyl]amino}benzoate, isopropyl 2-chloro-5-(isopropoxycarbonylamino)benzoate
| Molecular Formula | C14H18ClNO4 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.09244 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 136105-89-0 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)OC(C)C)Cl |
| InChIKey | INORZYDFTQPNEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester (CAS 136105-89-0), with molecular formula C14H18ClNO4 and molecular weight 299.09 g/mol. IUPAC: propan-2-yl 2-chloro-5-(propan-2-yloxycarbonylamino)benzoate.
Chemical Property Profile of Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester
The XLogP value of 3.7 indicates that Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester has 1 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 Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester is 136105-89-0.
What is the molecular formula of Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester is C14H18ClNO4.
What is the molecular weight of Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester is 299.09 g/mol.
Where can I buy Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.