6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
TL;DR: 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol (CAS 27507-45-5) is a chemical compound with molecular formula C17H25NO and molecular weight 259.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,13-diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Also Known As: Etazocine, NCIOpen2_004475, NIOSH/PB8615000, beta-(+-)-5,9-Diethyl-2'-hydroxy-2-methyl-6,7-benzomorphan, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-diethyl-3-methyl-, beta-(+-)-
| Molecular Formula | C17H25NO |
|---|---|
| Molecular Weight | 259.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.1936 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 27507-45-5 |
|---|---|
| SMILES | CCC1C2CC3=C(C1(CCN2C)CC)C=C(C=C3)O |
| InChIKey | JYRBQCWXZNDERM-UHFFFAOYSA-N |
Product Overview
6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol (CAS 27507-45-5), with molecular formula C17H25NO and molecular weight 259.19 g/mol. IUPAC: 1,13-diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
Chemical Property Profile of 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Property Insights of 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
The XLogP value of 4.1 indicates that 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol has 1 hydrogen bond donor(s) and 2 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 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol?
The CAS number of 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol is 27507-45-5.
What is the molecular formula of 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol?
The molecular formula of 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol is C17H25NO.
What is the molecular weight of 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol?
The molecular weight of 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol is 259.19 g/mol.
Where can I buy 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol?
You can request a quote for 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol?
Yes, KEHONG BIO provides custom synthesis services for 6,11-Diethyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.