2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan
TL;DR: 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan (CAS 3734-52-9) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 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(7),3,5-trien-4-ol
Also Known As: Methobenzmorphan, Metazocina, Metazocinum, trimethyl[?]ol, Metazocina [DCIT]
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 3734-52-9 |
|---|---|
| SMILES | CC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)O |
| InChIKey | YGSVZRIZCHZUHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan (CAS 3734-52-9), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
Chemical Property Profile of 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan
Property Insights of 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan. With a topological polar surface area (TPSA) of 23.5 Ų, 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan 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 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan?
The CAS number of 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan is 3734-52-9.
What is the molecular formula of 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan?
The molecular formula of 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan is C15H21NO.
What is the molecular weight of 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan?
The molecular weight of 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan is 231.16 g/mol.
Where can I buy 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan?
You can request a quote for 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan?
Yes, KEHONG BIO provides custom synthesis services for 2'-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.