9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate
TL;DR: 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate (CAS 1927-12-4) is a chemical compound with molecular formula C23H27NO3 and molecular weight 365.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenylacetate
Also Known As: KSD 2050, KSD 2084, 9-Methyl-9-azabicyclo(3.3.1)nonan-3-alpha-ol benzilate, (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenylacetate, 9-Methyl-9-azabicyclo(3.3.1)nonan-3-ol benzilate
| Molecular Formula | C23H27NO3 |
|---|---|
| Molecular Weight | 365.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1991 |
| Heavy Atoms | 27 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 1927-12-4 |
|---|---|
| SMILES | CN1C2CCCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | LSPNRKVJCNRVRR-UHFFFAOYSA-N |
Product Overview
9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate (CAS 1927-12-4), with molecular formula C23H27NO3 and molecular weight 365.20 g/mol. IUPAC: (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate
Property Insights of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate
The XLogP value of 4.2 indicates that 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate has 1 hydrogen bond donor(s) and 4 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 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate?
The CAS number of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate is 1927-12-4.
What is the molecular formula of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate?
The molecular formula of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate is C23H27NO3.
What is the molecular weight of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate?
The molecular weight of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate is 365.20 g/mol.
Where can I buy 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate?
You can request a quote for 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate 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-beta-ol, 9-methyl-, benzilate?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-methyl-, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.