1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride
TL;DR: 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride (CAS 54915-20-7) is a chemical compound with molecular formula C12H16ClN and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene;hydrochloride
Also Known As: 1,5-Ethano-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride, 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride, 2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine hydrochloride, 2,3,4,5-tetrahydro-1h-1,5-ethano-3-benzazepine hydrochloride(1:1), 2,3,4,5-tetrahydro-1h-1,5-ethano-3-benzazepinehydrochloride
| Molecular Formula | C12H16ClN |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.67 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.09712 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 54915-20-7 |
|---|---|
| SMILES | C1CC2CNCC1C3=CC=CC=C23.Cl |
| InChIKey | SJPHTVLNPUOCME-UHFFFAOYSA-N |
Product Overview
1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride (CAS 54915-20-7), with molecular formula C12H16ClN and molecular weight 209.10 g/mol. IUPAC: 10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene;hydrochloride.
Chemical Property Profile of 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride
Property Insights of 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride
The XLogP value of 2.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride. With a topological polar surface area (TPSA) of 12.0 Ų, 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride has 2 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 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride?
The CAS number of 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride is 54915-20-7.
What is the molecular formula of 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride?
The molecular formula of 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride is C12H16ClN.
What is the molecular weight of 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride?
The molecular weight of 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride is 209.10 g/mol.
Where can I buy 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride?
You can request a quote for 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.