4-Nitrobenzyl carbanilate
TL;DR: 4-Nitrobenzyl carbanilate (CAS 74109-32-3) 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.
(4-nitrophenyl)methyl N-phenylcarbamate
Also Known As: 4-nitrobenzyl phenylcarbamate, 4-NITROBENZYL CARBANILATE, (4-nitrophenyl)methyl N-phenylcarbamate, [(4-nitrophenyl)methoxy]-N-benzamide, Benzenemethanol,4-nitro-,phenylcarbamate
| 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 | 596.3308 |
Chemical Identifiers
| CAS Number | 74109-32-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrobenzyl carbanilate (CAS 74109-32-3), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: (4-nitrophenyl)methyl N-phenylcarbamate.
Chemical Property Profile of 4-Nitrobenzyl carbanilate
Property Insights of 4-Nitrobenzyl carbanilate
The XLogP value of 3.3435 indicates that 4-Nitrobenzyl carbanilate 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 4-Nitrobenzyl carbanilate. Following Lipinski's Rule of Five, 4-Nitrobenzyl carbanilate 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 4-Nitrobenzyl carbanilate?
The CAS number of 4-Nitrobenzyl carbanilate is 74109-32-3.
What is the molecular formula of 4-Nitrobenzyl carbanilate?
The molecular formula of 4-Nitrobenzyl carbanilate is C14H12N2O4.
What is the molecular weight of 4-Nitrobenzyl carbanilate?
The molecular weight of 4-Nitrobenzyl carbanilate is 272.08 g/mol.
Where can I buy 4-Nitrobenzyl carbanilate?
You can request a quote for 4-Nitrobenzyl carbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzyl carbanilate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl carbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.