3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium
TL;DR: 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium (CAS 136377-41-8) is a chemical compound with molecular formula C13H16N+ and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium
| Molecular Formula | C13H16N+ |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.12828 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 136377-41-8 |
|---|---|
| SMILES | C[C+]1CCC2CN(C1)C3=CC=CC=C23 |
| InChIKey | WUBULSLKDVBXOA-UHFFFAOYSA-N |
Product Overview
3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium (CAS 136377-41-8), with molecular formula C13H16N+ and molecular weight 186.13 g/mol.
Chemical Property Profile of 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium
Property Insights of 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium
The XLogP value of 3.2 indicates that 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium 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-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium?
The CAS number of 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium is 136377-41-8.
What is the molecular formula of 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium?
The molecular formula of 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium is C13H16N+.
What is the molecular weight of 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium?
The molecular weight of 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium is 186.13 g/mol.
Where can I buy 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium?
You can request a quote for 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.