9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate
TL;DR: 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate (CAS 6606-09-3) is a chemical compound with molecular formula C30H33NO3 and molecular weight 455.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-diphenylacetate
Also Known As: 9-Phenethyl-9-azabicyclo(3.3.1)nonan-3-beta-ol benzilate, 9-AZABICYCLO(3.3.1)NONAN-3-beta-OL, 9-PHENETHYL-, BENZILATE, N-Phenethyl-norgranatan-3-ol beta-(alpha-hydroxy-alpha-diphenylacetyl) ester [German], N-Phenethyl-norgranatan-3-ol beta-(alpha-hydroxy-alpha-diphenylacetyl) ester, [9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-7-yl]2-hydroxy-2,2-di(phenyl)acetate
| Molecular Formula | C30H33NO3 |
|---|---|
| Molecular Weight | 455.25 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.24603 |
| Heavy Atoms | 34 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 6606-09-3 |
|---|---|
| SMILES | C1CC2CC(CC(C1)N2CCC3=CC=CC=C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O |
| InChIKey | MBLNYIIHNHIOEF-UHFFFAOYSA-N |
Product Overview
9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate (CAS 6606-09-3), with molecular formula C30H33NO3 and molecular weight 455.25 g/mol. IUPAC: [9-(2-phenylethyl)-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-phenethyl-, benzilate
Property Insights of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate
The XLogP value of 6.2 indicates that 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, 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-phenethyl-, 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-phenethyl-, benzilate has 1 hydrogen bond donor(s) and 4 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-beta-ol, 9-phenethyl-, benzilate?
The CAS number of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate is 6606-09-3.
What is the molecular formula of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate?
The molecular formula of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate is C30H33NO3.
What is the molecular weight of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate?
The molecular weight of 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate is 455.25 g/mol.
Where can I buy 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate?
You can request a quote for 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, 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-phenethyl-, benzilate?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.