3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
TL;DR: 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine (CAS 53424-43-4) is a chemical compound with molecular formula C15H21N and molecular weight 215.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Also Known As: 2,5,9-Trimethyl-6:7-benzomorphan, 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine, 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, 1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene, 1,2,3,4,5,6-Hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocine
| Molecular Formula | C15H21N |
|---|---|
| Molecular Weight | 215.17 g/mol |
| LogP | 2.8406 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.1674 |
| Heavy Atoms | 16 |
| Complexity | 411.6509 |
Chemical Identifiers
| CAS Number | 53424-43-4 |
|---|---|
| SMILES | CC1C2CC3=CC=CC=C3C1(CCN2C)C |
Product Overview
3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine (CAS 53424-43-4), with molecular formula C15H21N and molecular weight 215.17 g/mol. IUPAC: 1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
Chemical Property Profile of 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
Property Insights of 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
The XLogP value of 2.8406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine. With a topological polar surface area (TPSA) of 3.24 Ų, 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine 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 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine?
The CAS number of 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine is 53424-43-4.
What is the molecular formula of 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine?
The molecular formula of 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine is C15H21N.
What is the molecular weight of 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine?
The molecular weight of 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine is 215.17 g/mol.
Where can I buy 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine?
You can request a quote for 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine?
Yes, KEHONG BIO provides custom synthesis services for 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.