benzyl N-(4-chloro-3-nitrophenyl)carbamate
TL;DR: benzyl N-(4-chloro-3-nitrophenyl)carbamate (CAS 413577-45-4) is a chemical compound with molecular formula C14H11ClN2O4 and molecular weight 306.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(4-chloro-3-nitrophenyl)carbamate
Also Known As: benzyl N-(4-chloro-3-nitrophenyl)carbamate, benzyl 4-chloro-3-nitrophenylcarbamate, N-benzyloxycarbonyl-4-chloro-3-nitroaniline, Benzyl N-(4-chloro-3-nitro-phenyl)carbamate
| Molecular Formula | C14H11ClN2O4 |
|---|---|
| Molecular Weight | 306.04 g/mol |
| LogP | 3.9969 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.04074 |
| Heavy Atoms | 21 |
| Complexity | 661.2785 |
Chemical Identifiers
| CAS Number | 413577-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
benzyl N-(4-chloro-3-nitrophenyl)carbamate (CAS 413577-45-4), with molecular formula C14H11ClN2O4 and molecular weight 306.04 g/mol. IUPAC: benzyl N-(4-chloro-3-nitrophenyl)carbamate.
Chemical Property Profile of benzyl N-(4-chloro-3-nitrophenyl)carbamate
Property Insights of benzyl N-(4-chloro-3-nitrophenyl)carbamate
The XLogP value of 3.9969 indicates that benzyl N-(4-chloro-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-(4-chloro-3-nitrophenyl)carbamate. Following Lipinski's Rule of Five, benzyl N-(4-chloro-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-(4-chloro-3-nitrophenyl)carbamate?
The CAS number of benzyl N-(4-chloro-3-nitrophenyl)carbamate is 413577-45-4.
What is the molecular formula of benzyl N-(4-chloro-3-nitrophenyl)carbamate?
The molecular formula of benzyl N-(4-chloro-3-nitrophenyl)carbamate is C14H11ClN2O4.
What is the molecular weight of benzyl N-(4-chloro-3-nitrophenyl)carbamate?
The molecular weight of benzyl N-(4-chloro-3-nitrophenyl)carbamate is 306.04 g/mol.
Where can I buy benzyl N-(4-chloro-3-nitrophenyl)carbamate?
You can request a quote for benzyl N-(4-chloro-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-(4-chloro-3-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-(4-chloro-3-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.