2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride
TL;DR: 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride (CAS 81138-83-2) is a chemical compound with molecular formula C21H20Cl3FN2 and molecular weight 424.07 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]-N,N-dimethylprop-2-yn-1-amine;dihydrochloride
Also Known As: 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride, 8-Chlor-5-(1-dimethylamino-2-propin-3-yl)-1-(2-fluorphenyl)-3H-2-benzazepin dihydrochlorid, 3-[8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]-N,N-dimethylprop-2-yn-1-amine dihydrochloride, 3-[8-Chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]-N,N-dimethylprop-2-yn-1-amine--hydrogen chloride (1/2), RefChem:266441
| Molecular Formula | C21H20Cl3FN2 |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | 5.1221 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.0676 |
| Heavy Atoms | 27 |
| Complexity | 924.50934 |
Chemical Identifiers
| CAS Number | 81138-83-2 |
|---|---|
| SMILES | CN(C)CC#CC1=CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.Cl.Cl |
Product Overview
2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride (CAS 81138-83-2), with molecular formula C21H20Cl3FN2 and molecular weight 424.07 g/mol. IUPAC: 3-[8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]-N,N-dimethylprop-2-yn-1-amine;dihydrochloride.
Chemical Property Profile of 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride
Property Insights of 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride
The XLogP value of 5.1221 indicates that 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride?
The CAS number of 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride is 81138-83-2.
What is the molecular formula of 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride?
The molecular formula of 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride is C21H20Cl3FN2.
What is the molecular weight of 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride?
The molecular weight of 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride is 424.07 g/mol.
Where can I buy 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride?
You can request a quote for 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyn-1-amine, 3-(8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl)-N,N-dimethyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.