![4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate structure](/static/products/6805/680579-71-9.webp)
4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate
TL;DR: 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate (CAS 680579-71-9) is a chemical compound with molecular formula C18H13Cl2N3O5 and molecular weight 421.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-nitrophenyl)methyl N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
Also Known As: 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate, (4-chloro-3-nitrophenyl)methyl N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
| Molecular Formula | C18H13Cl2N3O5 |
|---|---|
| Molecular Weight | 421.02 g/mol |
| LogP | 5.61372 |
| Topological Polar Surface Area | 107.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.02322 |
| Heavy Atoms | 28 |
| Complexity | 1051.4504 |
Chemical Identifiers
| CAS Number | 680579-71-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)NC(=O)OCC3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate (CAS 680579-71-9), with molecular formula C18H13Cl2N3O5 and molecular weight 421.02 g/mol. IUPAC: (4-chloro-3-nitrophenyl)methyl N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.
Chemical Property Profile of 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate
Property Insights of 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate
The XLogP value of 5.61372 indicates that 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate. Following Lipinski's Rule of Five, 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate?
The CAS number of 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate is 680579-71-9.
What is the molecular formula of 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate?
The molecular formula of 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate is C18H13Cl2N3O5.
What is the molecular weight of 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate?
The molecular weight of 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate is 421.02 g/mol.
Where can I buy 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate?
You can request a quote for 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-nitrobenzyl N-[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.