2-(1-Azepanyl)-5-fluoroaniline
TL;DR: 2-(1-Azepanyl)-5-fluoroaniline (CAS 869943-96-4) is a chemical compound with molecular formula C12H17FN2 and molecular weight 208.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-5-fluoroaniline
Also Known As: 2-(azepan-1-yl)-5-fluoroaniline, 2-(1-AZEPANYL)-5-FLUOROANILINE, 2-Azepan-1-yl-5-fluoro-phenylamine, 1113AF, BAS 13528934
| Molecular Formula | C12H17FN2 |
|---|---|
| Molecular Weight | 208.14 g/mol |
| LogP | 2.7883 |
| Topological Polar Surface Area | 29.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.13757 |
| Heavy Atoms | 15 |
| Complexity | 330.39404 |
Chemical Identifiers
| CAS Number | 869943-96-4 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C=C(C=C2)F)N |
Product Overview
2-(1-Azepanyl)-5-fluoroaniline (CAS 869943-96-4), with molecular formula C12H17FN2 and molecular weight 208.14 g/mol. IUPAC: 2-(azepan-1-yl)-5-fluoroaniline.
Chemical Property Profile of 2-(1-Azepanyl)-5-fluoroaniline
Property Insights of 2-(1-Azepanyl)-5-fluoroaniline
The XLogP value of 2.7883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Azepanyl)-5-fluoroaniline. With a topological polar surface area (TPSA) of 29.26 Ų, 2-(1-Azepanyl)-5-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Azepanyl)-5-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 2-(1-Azepanyl)-5-fluoroaniline?
The CAS number of 2-(1-Azepanyl)-5-fluoroaniline is 869943-96-4.
What is the molecular formula of 2-(1-Azepanyl)-5-fluoroaniline?
The molecular formula of 2-(1-Azepanyl)-5-fluoroaniline is C12H17FN2.
What is the molecular weight of 2-(1-Azepanyl)-5-fluoroaniline?
The molecular weight of 2-(1-Azepanyl)-5-fluoroaniline is 208.14 g/mol.
Where can I buy 2-(1-Azepanyl)-5-fluoroaniline?
You can request a quote for 2-(1-Azepanyl)-5-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Azepanyl)-5-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Azepanyl)-5-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.