N-methyltropanyl benzilate
TL;DR: N-methyltropanyl benzilate (CAS 73166-61-7) is a chemical compound with molecular formula C22H25NO3 and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-hydroxy-2,2-diphenylacetate
Also Known As: N-Methyltropanyl benzilate, 2 .ALPHA.-TROPANYL BENZILATE, (+)-2-alpha-Tropan-2-ol, diphenylglycolate, (+)-2, A-tropanyl-(+/-)- benzilate
| Molecular Formula | C22H25NO3 |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.18344 |
| Heavy Atoms | 26 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 73166-61-7 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@@H](CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | LSJGAYNIIMEDLR-XUVXKRRUSA-N |
Product Overview
N-methyltropanyl benzilate (CAS 73166-61-7), with molecular formula C22H25NO3 and molecular weight 351.18 g/mol. IUPAC: [(1R,2R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of N-methyltropanyl benzilate
Property Insights of N-methyltropanyl benzilate
The XLogP value of 3.9 indicates that N-methyltropanyl 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, N-methyltropanyl benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyltropanyl 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 N-methyltropanyl benzilate?
The CAS number of N-methyltropanyl benzilate is 73166-61-7.
What is the molecular formula of N-methyltropanyl benzilate?
The molecular formula of N-methyltropanyl benzilate is C22H25NO3.
What is the molecular weight of N-methyltropanyl benzilate?
The molecular weight of N-methyltropanyl benzilate is 351.18 g/mol.
Where can I buy N-methyltropanyl benzilate?
You can request a quote for N-methyltropanyl benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyltropanyl benzilate?
Yes, KEHONG BIO provides custom synthesis services for N-methyltropanyl benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.