2-氯-4-氟苯胺
TL;DR: 2-氯-4-氟苯胺 (CAS 2106-02-7) is a chemical compound with molecular formula C6H5ClFN and molecular weight 145.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-4-氟苯胺
2-chloro-4-fluoroaniline
Also Known As: 2-Chloro-4-fluoroaniline, Benzenamine, 2-chloro-4-fluoro-, 2-chloro-4-fluorobenzenamine, 4,5-dichloroquinoline, 4-fluoro-2-chloroaniline
| Molecular Formula | C6H5ClFN |
|---|---|
| Molecular Weight | 145.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.00946 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 2106-02-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)Cl)N |
| InChIKey | XRAKCYJTJGTSMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-4-氟苯胺 (CAS 2106-02-7), with molecular formula C6H5ClFN and molecular weight 145.01 g/mol. IUPAC: 2-chloro-4-fluoroaniline.
Chemical Property Profile of 2-氯-4-氟苯胺
Property Insights of 2-氯-4-氟苯胺
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-4-氟苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 2-氯-4-氟苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-4-氟苯胺 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 2-氯-4-氟苯胺?
The CAS number of 2-氯-4-氟苯胺 is 2106-02-7.
What is the molecular formula of 2-氯-4-氟苯胺?
The molecular formula of 2-氯-4-氟苯胺 is C6H5ClFN.
What is the molecular weight of 2-氯-4-氟苯胺?
The molecular weight of 2-氯-4-氟苯胺 is 145.01 g/mol.
Where can I buy 2-氯-4-氟苯胺?
You can request a quote for 2-氯-4-氟苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-4-氟苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-4-氟苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.