Chloromethyl 4-nitrophenyl carbonate
TL;DR: Chloromethyl 4-nitrophenyl carbonate (CAS 50780-50-2) is a chemical compound with molecular formula C8H6ClNO5 and molecular weight 230.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl (4-nitrophenyl) carbonate
Also Known As: chloromethyl (4-nitrophenyl) carbonate, chloromethyl 4-nitrophenyl carbonate, Chloromethyl p-Nitrophenyl Carbonate, chloromethyl(4-nitrophenyl)carbonate, p-nitrophenyl chloromethyl carbonate
| Molecular Formula | C8H6ClNO5 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | 2.3065 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.99345 |
| Heavy Atoms | 15 |
| Complexity | 363.7997 |
Chemical Identifiers
| CAS Number | 50780-50-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCCl |
Product Overview
Chloromethyl 4-nitrophenyl carbonate (CAS 50780-50-2), with molecular formula C8H6ClNO5 and molecular weight 230.99 g/mol. IUPAC: chloromethyl (4-nitrophenyl) carbonate.
Chemical Property Profile of Chloromethyl 4-nitrophenyl carbonate
Property Insights of Chloromethyl 4-nitrophenyl carbonate
The XLogP value of 2.3065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl 4-nitrophenyl carbonate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloromethyl 4-nitrophenyl carbonate. Following Lipinski's Rule of Five, Chloromethyl 4-nitrophenyl carbonate has 0 hydrogen bond donor(s) and 5 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 Chloromethyl 4-nitrophenyl carbonate?
The CAS number of Chloromethyl 4-nitrophenyl carbonate is 50780-50-2.
What is the molecular formula of Chloromethyl 4-nitrophenyl carbonate?
The molecular formula of Chloromethyl 4-nitrophenyl carbonate is C8H6ClNO5.
What is the molecular weight of Chloromethyl 4-nitrophenyl carbonate?
The molecular weight of Chloromethyl 4-nitrophenyl carbonate is 230.99 g/mol.
Where can I buy Chloromethyl 4-nitrophenyl carbonate?
You can request a quote for Chloromethyl 4-nitrophenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 4-nitrophenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 4-nitrophenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.