1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride
TL;DR: 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride (CAS 76777-07-6) is a chemical compound with molecular formula C17H24ClN and molecular weight 277.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-methylbut-2-enyl)-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
Also Known As: 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride, 2-(3-Methyl-2-butenyl)-1,2,3,4,5,6,hexahydro-1,6-methano-2-benzazocine hydrochloride, 2-(3-Methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-1,6-methano-2-benzazocine--hydrogen chloride (1/1), RefChem:1053537
| Molecular Formula | C17H24ClN |
|---|---|
| Molecular Weight | 277.16 g/mol |
| LogP | 4.6988 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.15973 |
| Heavy Atoms | 19 |
| Complexity | 462.0848 |
Chemical Identifiers
| CAS Number | 76777-07-6 |
|---|---|
| SMILES | CC(=CCN1CCCC2CC1C3=CC=CC=C23)C.Cl |
Product Overview
1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride (CAS 76777-07-6), with molecular formula C17H24ClN and molecular weight 277.16 g/mol. IUPAC: 9-(3-methylbut-2-enyl)-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride.
Chemical Property Profile of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride
Property Insights of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride
The XLogP value of 4.6988 indicates that 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride has 0 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 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride?
The CAS number of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride is 76777-07-6.
What is the molecular formula of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride?
The molecular formula of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride is C17H24ClN.
What is the molecular weight of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride?
The molecular weight of 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride is 277.16 g/mol.
Where can I buy 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride?
You can request a quote for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Methano-2-benzazocine, 1,2,3,4,5,6-hexahydro-2-(3-methyl-2-butenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.