4-Nitrobenzyl chloroformate
TL;DR: 4-Nitrobenzyl chloroformate (CAS 4457-32-3) is a chemical compound with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl carbonochloridate
Also Known As: 4-Nitrobenzyl chloroformate, 4-Nitrobenzyl carbonochloridate, p-Nitrobenzyl chloroformate, 4-Nitrocarbobenzoxychloride, 4-Nitrobenzyl Chlorocarbonate
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 4457-32-3 |
|---|---|
| SMILES | C1=CC(=CC=C1COC(=O)Cl)[N+](=O)[O-] |
| InChIKey | MHSGOABISYIYKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzyl chloroformate (CAS 4457-32-3), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: (4-nitrophenyl)methyl carbonochloridate.
Chemical Property Profile of 4-Nitrobenzyl chloroformate
Property Insights of 4-Nitrobenzyl chloroformate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzyl chloroformate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl chloroformate. Following Lipinski's Rule of Five, 4-Nitrobenzyl chloroformate has 0 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 chloroformate?
The CAS number of 4-Nitrobenzyl chloroformate is 4457-32-3.
What is the molecular formula of 4-Nitrobenzyl chloroformate?
The molecular formula of 4-Nitrobenzyl chloroformate is C8H6ClNO4.
What is the molecular weight of 4-Nitrobenzyl chloroformate?
The molecular weight of 4-Nitrobenzyl chloroformate is 215.00 g/mol.
Where can I buy 4-Nitrobenzyl chloroformate?
You can request a quote for 4-Nitrobenzyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.