9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate
TL;DR: 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate (CAS 2291-55-6) is a chemical compound with molecular formula C23H27NO2 and molecular weight 349.20 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) 2,2-diphenylacetate
Also Known As: KSD 2128, KSD 2129, N-Methyl-norgranatan-3-ol beta-diphenylacetyl ester [German], N-Methyl-norgranatan-3-ol alpha-diphenylacetyl ester, N-Methyl-norgranatan-3-ol beta-diphenylacetyl ester
| Molecular Formula | C23H27NO2 |
|---|---|
| Molecular Weight | 349.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.2042 |
| Heavy Atoms | 26 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 2291-55-6 |
|---|---|
| SMILES | CN1C2CCCC1CC(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | HDVCAVADDPJAAK-UHFFFAOYSA-N |
Product Overview
9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate (CAS 2291-55-6), with molecular formula C23H27NO2 and molecular weight 349.20 g/mol. IUPAC: (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2,2-diphenylacetate.
Chemical Property Profile of 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate
Property Insights of 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate
The XLogP value of 4.5 indicates that 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate has 0 hydrogen bond donor(s) and 3 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-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate?
The CAS number of 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate is 2291-55-6.
What is the molecular formula of 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate?
The molecular formula of 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate is C23H27NO2.
What is the molecular weight of 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate?
The molecular weight of 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate is 349.20 g/mol.
Where can I buy 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate?
You can request a quote for 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Methyl-9-azabicyclo(3.3.1)nonan-3-yl diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.