Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester (CAS 88599-42-2) is a chemical compound with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-carbamoyloxy-5-chlorobenzoate
Also Known As: 1-Methylethyl 2-((aminocarbonyl)oxy)-5-chlorobenzoate, Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester, isopropyl 2-(carbamoyloxy)-5-chlorobenzoate, propan-2-yl 2-carbamoyloxy-5-chlorobenzoate, Propan-2-yl 2-(carbamoyloxy)-5-chlorobenzoate
| Molecular Formula | C11H12ClNO4 |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 2.3627 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.04547 |
| Heavy Atoms | 17 |
| Complexity | 445.09763 |
Chemical Identifiers
| CAS Number | 88599-42-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)Cl)OC(=O)N |
Product Overview
Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester (CAS 88599-42-2), with molecular formula C11H12ClNO4 and molecular weight 257.05 g/mol. IUPAC: propan-2-yl 2-carbamoyloxy-5-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester
The XLogP value of 2.3627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 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-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester is 88599-42-2.
What is the molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester is C11H12ClNO4.
What is the molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester is 257.05 g/mol.
Where can I buy Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 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-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.