1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride
TL;DR: 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride (CAS 40804-90-8) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrochloride
Also Known As: 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride, 1,5-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3-methyl-, hydrochloride, 3-methyl-1,2,3,4,5,6-hexahydro-1,5-methano-3-benzazocine hydrochloride(1:1), 3-Methyl-1,2,3,4,5,6-hexahydro-1,5-methano-3-benzazocine--hydrogen chloride (1/1), 1,5-Methano-3-benzazocine,1,2,3,4,5,6-hexahydro-3-methyl-,hydrochloride
| Molecular Formula | C13H18ClN |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 2.6998 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.11278 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 40804-90-8 |
|---|---|
| SMILES | CN1CC2CC(C1)C3=CC=CC=C3C2.Cl |
| InChIKey | SVQUZUXZCOUZDP-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride (CAS 40804-90-8), with molecular formula C13H18ClN and molecular weight 223.11 g/mol. IUPAC: 11-methyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrochloride.
Chemical Property Profile of 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride
Property Insights of 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride
The XLogP value of 2.6998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine 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 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride?
The CAS number of 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride is 40804-90-8.
What is the molecular formula of 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride?
The molecular formula of 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride is C13H18ClN.
What is the molecular weight of 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride?
The molecular weight of 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride is 223.11 g/mol.
Where can I buy 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride?
You can request a quote for 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6-Hexahydro-3-methyl-1,5-methano-3-benzazocine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.