9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-
TL;DR: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- (CAS 102585-82-0) is a chemical compound with molecular formula C22H27NO and molecular weight 321.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-3-(4-methylphenoxy)-9-azabicyclo[3.3.1]nonane
Also Known As: 9-Benzyl-3-p-tolyl-3-granatanol, 9-Benzyl-3-(p-tolyl)-9-azabicyclo(3.3.1)nonan-3-ol, 9-AZABICYCLO(3.3.1)NONAN-3-OL, 9-BENZYL-3-(p-TOLYL)-, 9-benzyl-3-(4-methylphenoxy)-9-azabicyclo[3.3.1]nonane, 7-(4-Methylphenoxy)-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonane
| Molecular Formula | C22H27NO |
|---|---|
| Molecular Weight | 321.21 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.20926 |
| Heavy Atoms | 24 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 102585-82-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2CC3CCCC(C2)N3CC4=CC=CC=C4 |
| InChIKey | MNXQDSVXDDQGHM-UHFFFAOYSA-N |
Product Overview
9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- (CAS 102585-82-0), with molecular formula C22H27NO and molecular weight 321.21 g/mol. IUPAC: 9-benzyl-3-(4-methylphenoxy)-9-azabicyclo[3.3.1]nonane.
Chemical Property Profile of 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-
Property Insights of 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-
The XLogP value of 5.3 indicates that 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-?
The CAS number of 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- is 102585-82-0.
What is the molecular formula of 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-?
The molecular formula of 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- is C22H27NO.
What is the molecular weight of 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-?
The molecular weight of 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- is 321.21 g/mol.
Where can I buy 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-?
You can request a quote for 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(3.3.1)nonan-3-ol, 9-benzyl-3-(p-tolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.