1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride
TL;DR: 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride (CAS 23802-20-2) is a chemical compound with molecular formula C13H16ClN and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
Also Known As: 3-Propargyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride, 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride, 2,3,4,5-Tetrahydro-3-(2-propynyl)-1H-3-benzazepine hydrochloride, 3-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1h-3-benzazepine hydrochloride(1:1), 3-prop-2-ynyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride
| Molecular Formula | C13H16ClN |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 2.1422 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.09712 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 23802-20-2 |
|---|---|
| SMILES | C#CCN1CCC2=CC=CC=C2CC1.Cl |
| InChIKey | IRZCDHUIWBVEOV-UHFFFAOYSA-N |
Product Overview
1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride (CAS 23802-20-2), with molecular formula C13H16ClN and molecular weight 221.10 g/mol. IUPAC: 3-prop-2-ynyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.
Chemical Property Profile of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride
Property Insights of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride
The XLogP value of 2.1422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride has 1 hydrogen bond donor(s) and 1 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 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride?
The CAS number of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride is 23802-20-2.
What is the molecular formula of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride?
The molecular formula of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride is C13H16ClN.
What is the molecular weight of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride?
The molecular weight of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride is 221.10 g/mol.
Where can I buy 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride?
You can request a quote for 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(2-propynyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.