4-Chloro-2-ethoxy-1-nitrobenzene
TL;DR: 4-Chloro-2-ethoxy-1-nitrobenzene (CAS 29604-25-9) is a chemical compound with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-ethoxy-1-nitrobenzene
Also Known As: 4-chloro-2-ethoxy-1-nitrobenzene, Benzene, 4-chloro-2-ethoxy-1-nitro-, 5-Chloro-2-nitrophenetole, 4-Chloro-2-ethoxynitrobenzene, Benzene,4-chloro-2-ethoxy-1-nitro-
| Molecular Formula | C8H8ClNO3 |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.01927 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 29604-25-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)Cl)[N+](=O)[O-] |
| InChIKey | YYQSMJVVERBZPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-ethoxy-1-nitrobenzene (CAS 29604-25-9), with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol. IUPAC: 4-chloro-2-ethoxy-1-nitrobenzene.
Chemical Property Profile of 4-Chloro-2-ethoxy-1-nitrobenzene
Property Insights of 4-Chloro-2-ethoxy-1-nitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-ethoxy-1-nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Chloro-2-ethoxy-1-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-ethoxy-1-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-Chloro-2-ethoxy-1-nitrobenzene?
The CAS number of 4-Chloro-2-ethoxy-1-nitrobenzene is 29604-25-9.
What is the molecular formula of 4-Chloro-2-ethoxy-1-nitrobenzene?
The molecular formula of 4-Chloro-2-ethoxy-1-nitrobenzene is C8H8ClNO3.
What is the molecular weight of 4-Chloro-2-ethoxy-1-nitrobenzene?
The molecular weight of 4-Chloro-2-ethoxy-1-nitrobenzene is 201.02 g/mol.
Where can I buy 4-Chloro-2-ethoxy-1-nitrobenzene?
You can request a quote for 4-Chloro-2-ethoxy-1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-ethoxy-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-ethoxy-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.