3-alpha-Tropanol, 3-phenylpropionate
TL;DR: 3-alpha-Tropanol, 3-phenylpropionate (CAS 20811-85-2) is a chemical compound with molecular formula C17H23NO2 and molecular weight 273.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenylpropanoate
Also Known As: 3-alpha-Tropanol, 3-phenylpropionate, Hydrocinnamic acid, 3-alpha-tropanyl ester, 3-Phenylpropionic acid 3-alpha-tropanyl ester, endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl benzenepropanoate, 3-phenyl-propionic acid tropane-3endo-yl ester
| Molecular Formula | C17H23NO2 |
|---|---|
| Molecular Weight | 273.17 g/mol |
| LogP | 2.7876 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.17288 |
| Heavy Atoms | 20 |
| Complexity | 445.31763 |
Chemical Identifiers
| CAS Number | 20811-85-2 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CCC3=CC=CC=C3 |
Product Overview
3-alpha-Tropanol, 3-phenylpropionate (CAS 20811-85-2), with molecular formula C17H23NO2 and molecular weight 273.17 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenylpropanoate.
Chemical Property Profile of 3-alpha-Tropanol, 3-phenylpropionate
Property Insights of 3-alpha-Tropanol, 3-phenylpropionate
The XLogP value of 2.7876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-alpha-Tropanol, 3-phenylpropionate. With a topological polar surface area (TPSA) of 29.54 Ų, 3-alpha-Tropanol, 3-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-alpha-Tropanol, 3-phenylpropionate 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 3-alpha-Tropanol, 3-phenylpropionate?
The CAS number of 3-alpha-Tropanol, 3-phenylpropionate is 20811-85-2.
What is the molecular formula of 3-alpha-Tropanol, 3-phenylpropionate?
The molecular formula of 3-alpha-Tropanol, 3-phenylpropionate is C17H23NO2.
What is the molecular weight of 3-alpha-Tropanol, 3-phenylpropionate?
The molecular weight of 3-alpha-Tropanol, 3-phenylpropionate is 273.17 g/mol.
Where can I buy 3-alpha-Tropanol, 3-phenylpropionate?
You can request a quote for 3-alpha-Tropanol, 3-phenylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-alpha-Tropanol, 3-phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for 3-alpha-Tropanol, 3-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.