3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol
TL;DR: 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol (CAS 56231-76-6) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Also Known As: NIH 8932, (+)-1-(m-Hydroxyphenyl)-6-methyl-6-azabicyclo(3.2.1)octane, 5-21-03-00113 (Beilstein Handbook Reference), (+-)-1-(m-Hydroxyphenyl)-6-methyl-6-azabicyclo(3.2.1)octane, Phenol, 3-(6-methyl-6-azabicyclo(3.2.1)oct-1-yl)-, (+)-
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 56231-76-6 |
|---|---|
| SMILES | CN1CC2(CCCC1C2)C3=CC(=CC=C3)O |
| InChIKey | CACUHZYZLDBFQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol (CAS 56231-76-6), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 3-(6-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol.
Chemical Property Profile of 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol
Property Insights of 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol. With a topological polar surface area (TPSA) of 23.5 Ų, 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol 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 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol?
The CAS number of 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol is 56231-76-6.
What is the molecular formula of 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol?
The molecular formula of 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol is C14H19NO.
What is the molecular weight of 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol?
The molecular weight of 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol is 217.15 g/mol.
Where can I buy 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol?
You can request a quote for 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Methyl-6-azabicyclo(3.2.1)octan-1-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.