3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate
TL;DR: 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate (CAS 338960-79-5) is a chemical compound with molecular formula C20H15ClN2O5 and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitro-4-phenoxyphenyl)methyl N-(4-chlorophenyl)carbamate
Also Known As: Bionet1_002805, 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate, (3-nitro-4-phenoxyphenyl)methyl N-(4-chlorophenyl)carbamate, 5L-519S, (3-nitro-4-phenoxyphenyl)methylN-(4-chlorophenyl)carbamate
| Molecular Formula | C20H15ClN2O5 |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | 5.7892 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.06696 |
| Heavy Atoms | 28 |
| Complexity | 977.64606 |
Chemical Identifiers
| CAS Number | 338960-79-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=C2)COC(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate (CAS 338960-79-5), with molecular formula C20H15ClN2O5 and molecular weight 398.07 g/mol. IUPAC: (3-nitro-4-phenoxyphenyl)methyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate
Property Insights of 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate
The XLogP value of 5.7892 indicates that 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate. Following Lipinski's Rule of Five, 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate?
The CAS number of 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate is 338960-79-5.
What is the molecular formula of 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate?
The molecular formula of 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate is C20H15ClN2O5.
What is the molecular weight of 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate?
The molecular weight of 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate is 398.07 g/mol.
Where can I buy 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate?
You can request a quote for 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-4-phenoxybenzyl N-(4-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.