Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester
TL;DR: Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester (CAS 88599-74-0) is a chemical compound with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-carbamoyloxybenzoate
Also Known As: 4-Nitrophenyl 2-((aminocarbonyl)oxy)benzoate, Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester, (4-nitrophenyl) 2-carbamoyloxybenzoate, 4-Nitrophenyl 2-(carbamoyloxy)benzoate, RefChem:326710
| Molecular Formula | C14H10N2O6 |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 2.2715 |
| Topological Polar Surface Area | 121.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0539 |
| Heavy Atoms | 22 |
| Complexity | 726.36786 |
Chemical Identifiers
| CAS Number | 88599-74-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)N |
Product Overview
Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester (CAS 88599-74-0), with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol. IUPAC: (4-nitrophenyl) 2-carbamoyloxybenzoate.
Chemical Property Profile of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester
Property Insights of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester
The XLogP value of 2.2715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester. The TPSA of 121.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester has 1 hydrogen bond donor(s) and 6 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-nitrophenyl ester?
The CAS number of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester is 88599-74-0.
What is the molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester?
The molecular formula of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester is C14H10N2O6.
What is the molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester?
The molecular weight of Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester is 302.05 g/mol.
Where can I buy Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester?
You can request a quote for Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl 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-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.