![[(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate structure](/static/products/919/91976-36-2.png)
[(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate
TL;DR: [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate (CAS 91976-36-2) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl benzoate
Also Known As: KST-1A8905, [(2s,3s)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate, [(2S,3S)-3-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-2-YL]METHYL BENZOATE, [(3S,4S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl benzoate, 8-Azabicyclo[3.2.1]octane-2-methanol,3-hydroxy-8-methyl-, a-benzoate, (exo,exo)- (9CI)
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 91976-36-2 |
|---|---|
| SMILES | CN1C2CCC1[C@H]([C@H](C2)O)COC(=O)C3=CC=CC=C3 |
| InChIKey | TXIYBPZUJGKOLX-JYVUQVBGSA-N |
Product Overview
[(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate (CAS 91976-36-2), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: [(2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl benzoate.
Chemical Property Profile of [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate
Property Insights of [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate. With a topological polar surface area (TPSA) of 49.8 Ų, [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate 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 [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate?
The CAS number of [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate is 91976-36-2.
What is the molecular formula of [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate?
The molecular formula of [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate is C16H21NO3.
What is the molecular weight of [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate?
The molecular weight of [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate is 275.15 g/mol.
Where can I buy [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate?
You can request a quote for [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2s,3s)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.