4-Nitrophenyl chloroacetate
TL;DR: 4-Nitrophenyl chloroacetate (CAS 777-84-4) 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) 2-chloroacetate
Also Known As: 4-nitrophenyl chloroacetate, (4-nitrophenyl) 2-chloroacetate, 4-NITROPHENYL 2-CHLOROACETATE, 2-Chloro-4-nitrophenyl acetate, 1,1-Diethoxy-3-octyne
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.1 |
| 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 | 777-84-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCl |
| InChIKey | DYFFUJNIXCDLOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl chloroacetate (CAS 777-84-4), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: (4-nitrophenyl) 2-chloroacetate.
Chemical Property Profile of 4-Nitrophenyl chloroacetate
Property Insights of 4-Nitrophenyl chloroacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl chloroacetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl chloroacetate. Following Lipinski's Rule of Five, 4-Nitrophenyl chloroacetate 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-Nitrophenyl chloroacetate?
The CAS number of 4-Nitrophenyl chloroacetate is 777-84-4.
What is the molecular formula of 4-Nitrophenyl chloroacetate?
The molecular formula of 4-Nitrophenyl chloroacetate is C8H6ClNO4.
What is the molecular weight of 4-Nitrophenyl chloroacetate?
The molecular weight of 4-Nitrophenyl chloroacetate is 215.00 g/mol.
Where can I buy 4-Nitrophenyl chloroacetate?
You can request a quote for 4-Nitrophenyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.