Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester
TL;DR: Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester (CAS 1222780-33-7) is a chemical compound with molecular formula C15H12ClNO4 and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 2-carbamoyloxy-5-chlorobenzoate
Also Known As: TPPU, (3-methylphenyl) 2-carbamoyloxy-5-chlorobenzoate, Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester, 3-Methylphenyl 2-((aminocarbonyl)oxy)-5-chlorobenzoate, (3-methylphenyl)2-carbamoyloxy-5-chlorobenzoate
| Molecular Formula | C15H12ClNO4 |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 3.32512 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.04547 |
| Heavy Atoms | 21 |
| Complexity | 699.823 |
Chemical Identifiers
| CAS Number | 1222780-33-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)Cl)OC(=O)N |
Product Overview
Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester (CAS 1222780-33-7), with molecular formula C15H12ClNO4 and molecular weight 305.05 g/mol. IUPAC: (3-methylphenyl) 2-carbamoyloxy-5-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester
Property Insights of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester
The XLogP value of 3.32512 indicates that Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl 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-, 3-methylphenyl ester?
The CAS number of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester is 1222780-33-7.
What is the molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester?
The molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester is C15H12ClNO4.
What is the molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester?
The molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester is 305.05 g/mol.
Where can I buy Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester?
You can request a quote for Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl 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-, 3-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 3-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.