3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride
TL;DR: 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride (CAS 81078-50-4) is a chemical compound with molecular formula C19H16Cl3FN2 and molecular weight 396.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]prop-2-yn-1-amine;dihydrochloride
Also Known As: 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride, 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-, dihydrochloride, 8-Chlor-5-(1-amino-2-propin-3-yl)-1-(2-fluorophenyl)-3H-benzazepin dihydrochlorid [German], 8-Chlor-5-(1-amino-2-propin-3-yl)-1-(2-fluorophenyl)-3H-benzazepin dihydrochlorid, 3-[8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]prop-2-yn-1-amine dihydrochloride
| Molecular Formula | C19H16Cl3FN2 |
|---|---|
| Molecular Weight | 396.04 g/mol |
| LogP | 4.5192 |
| Topological Polar Surface Area | 38.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.03632 |
| Heavy Atoms | 25 |
| Complexity | 879.7233 |
Chemical Identifiers
| CAS Number | 81078-50-4 |
|---|---|
| SMILES | C1C=C(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)C#CCN.Cl.Cl |
Product Overview
3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride (CAS 81078-50-4), with molecular formula C19H16Cl3FN2 and molecular weight 396.04 g/mol. IUPAC: 3-[8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]prop-2-yn-1-amine;dihydrochloride.
Chemical Property Profile of 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride
Property Insights of 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride
The XLogP value of 4.5192 indicates that 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.38 Ų, 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride 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-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride?
The CAS number of 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride is 81078-50-4.
What is the molecular formula of 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride?
The molecular formula of 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride is C19H16Cl3FN2.
What is the molecular weight of 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride?
The molecular weight of 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride is 396.04 g/mol.
Where can I buy 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride?
You can request a quote for 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-2-propyn-1-amine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.