Benzyl N-(3-nitrophenyl)carbamate
TL;DR: Benzyl N-(3-nitrophenyl)carbamate (CAS 53821-16-2) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(3-nitrophenyl)carbamate
Also Known As: Benzyl N-(3-nitrophenyl)carbamate, Benzyl (3-nitrophenyl)carbamate, (3-Nitrophenyl)carbamic acid benzyl ester, J3.163.756B, Carbamic acid, (3-nitrophenyl)-, phenylmethyl ester (9CI)
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.3435 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 613.5808 |
Chemical Identifiers
| CAS Number | 53821-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Benzyl N-(3-nitrophenyl)carbamate (CAS 53821-16-2), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: benzyl N-(3-nitrophenyl)carbamate.
Chemical Property Profile of Benzyl N-(3-nitrophenyl)carbamate
Property Insights of Benzyl N-(3-nitrophenyl)carbamate
The XLogP value of 3.3435 indicates that Benzyl N-(3-nitrophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl N-(3-nitrophenyl)carbamate. Following Lipinski's Rule of Five, Benzyl N-(3-nitrophenyl)carbamate 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 Benzyl N-(3-nitrophenyl)carbamate?
The CAS number of Benzyl N-(3-nitrophenyl)carbamate is 53821-16-2.
What is the molecular formula of Benzyl N-(3-nitrophenyl)carbamate?
The molecular formula of Benzyl N-(3-nitrophenyl)carbamate is C14H12N2O4.
What is the molecular weight of Benzyl N-(3-nitrophenyl)carbamate?
The molecular weight of Benzyl N-(3-nitrophenyl)carbamate is 272.08 g/mol.
Where can I buy Benzyl N-(3-nitrophenyl)carbamate?
You can request a quote for Benzyl N-(3-nitrophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl N-(3-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-(3-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.