Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester
TL;DR: Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester (CAS 88599-50-2) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 2-carbamoyloxybenzoate
Also Known As: 4-Methylphenyl 2-((aminocarbonyl)oxy)benzoate, Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester, (4-methylphenyl) 2-carbamoyloxybenzoate, 4-Methylphenyl 2-(carbamoyloxy)benzoate, BRN 5963665
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 2.67172 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 634.5767 |
Chemical Identifiers
| CAS Number | 88599-50-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)N |
Product Overview
Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester (CAS 88599-50-2), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: (4-methylphenyl) 2-carbamoyloxybenzoate.
Chemical Property Profile of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester
Property Insights of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester
The XLogP value of 2.67172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-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)-, 4-methylphenyl ester?
The CAS number of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester is 88599-50-2.
What is the molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester?
The molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester is C15H13NO4.
What is the molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester?
The molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester is 271.08 g/mol.
Where can I buy Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester?
You can request a quote for Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-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)-, 4-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.