![8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate structure](/static/products/5065/50656-88-7.webp)
8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate
TL;DR: 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate (CAS 50656-88-7) 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.
(2-benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate
Also Known As: Alkaloid C, 2-Benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-6-yl benzoate, 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate, 2-Benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol 6-benzoate, (4-benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-7-yl) benzoate
| 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 | 484.0 |
Chemical Identifiers
| CAS Number | 50656-88-7 |
|---|---|
| SMILES | CN1C2CC(C(C1CC2OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)O |
| InChIKey | GCUXPQRWLZDZQJ-UHFFFAOYSA-N |
Product Overview
8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate (CAS 50656-88-7), with molecular formula C22H25NO3 and molecular weight 351.18 g/mol. IUPAC: (2-benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) benzoate.
Chemical Property Profile of 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate
Property Insights of 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate
The XLogP value of 3.9 indicates that 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-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 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate?
The CAS number of 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate is 50656-88-7.
What is the molecular formula of 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate?
The molecular formula of 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate is C22H25NO3.
What is the molecular weight of 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate?
The molecular weight of 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate is 351.18 g/mol.
Where can I buy 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate?
You can request a quote for 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate?
Yes, KEHONG BIO provides custom synthesis services for 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.