3,5-Dichloro-4-fluoroaniline
TL;DR: 3,5-Dichloro-4-fluoroaniline (CAS 2729-34-2) is a chemical compound with molecular formula C6H4Cl2FN and molecular weight 178.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-4-fluoroaniline
Also Known As: 3,5-Dichloro-4-fluoroaniline, 3,5-dichloro-4-fluorobenzenamine, 3,5-dichloro-4-fluoro-aniline, 3,5-dichlor-4-fluoranilin, 3,5-Dichloro-4-fluoro-phenylamine
| Molecular Formula | C6H4Cl2FN |
|---|---|
| Molecular Weight | 178.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.97049 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 2729-34-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)F)Cl)N |
| InChIKey | NKTZSKQMAITPBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichloro-4-fluoroaniline (CAS 2729-34-2), with molecular formula C6H4Cl2FN and molecular weight 178.97 g/mol. IUPAC: 3,5-dichloro-4-fluoroaniline.
Chemical Property Profile of 3,5-Dichloro-4-fluoroaniline
Property Insights of 3,5-Dichloro-4-fluoroaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dichloro-4-fluoroaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 3,5-Dichloro-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichloro-4-fluoroaniline 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 3,5-Dichloro-4-fluoroaniline?
The CAS number of 3,5-Dichloro-4-fluoroaniline is 2729-34-2.
What is the molecular formula of 3,5-Dichloro-4-fluoroaniline?
The molecular formula of 3,5-Dichloro-4-fluoroaniline is C6H4Cl2FN.
What is the molecular weight of 3,5-Dichloro-4-fluoroaniline?
The molecular weight of 3,5-Dichloro-4-fluoroaniline is 178.97 g/mol.
Where can I buy 3,5-Dichloro-4-fluoroaniline?
You can request a quote for 3,5-Dichloro-4-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloro-4-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.