4-Chloro-2-phenoxyaniline
TL;DR: 4-Chloro-2-phenoxyaniline (CAS 7463-79-8) is a chemical compound with molecular formula C12H10ClNO and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-phenoxyaniline
Also Known As: 4-chloro-2-phenoxyaniline, 4-Chloro-2-phenoxy-aniline, Benzenamine, 4-chloro-2-phenoxy-, 4-Chlor-2-phenoxy-anilin, Benzenamine,4-chloro-2-phenoxy-
| Molecular Formula | C12H10ClNO |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.04509 |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 7463-79-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=CC(=C2)Cl)N |
| InChIKey | IGCFDKPYOYTIRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-phenoxyaniline (CAS 7463-79-8), with molecular formula C12H10ClNO and molecular weight 219.05 g/mol. IUPAC: 4-chloro-2-phenoxyaniline.
Chemical Property Profile of 4-Chloro-2-phenoxyaniline
Property Insights of 4-Chloro-2-phenoxyaniline
The XLogP value of 3.1 indicates that 4-Chloro-2-phenoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 4-Chloro-2-phenoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-phenoxyaniline has 1 hydrogen bond donor(s) and 2 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-phenoxyaniline?
The CAS number of 4-Chloro-2-phenoxyaniline is 7463-79-8.
What is the molecular formula of 4-Chloro-2-phenoxyaniline?
The molecular formula of 4-Chloro-2-phenoxyaniline is C12H10ClNO.
What is the molecular weight of 4-Chloro-2-phenoxyaniline?
The molecular weight of 4-Chloro-2-phenoxyaniline is 219.05 g/mol.
Where can I buy 4-Chloro-2-phenoxyaniline?
You can request a quote for 4-Chloro-2-phenoxyaniline 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-phenoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-phenoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.