(-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane
TL;DR: (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane (CAS 58072-37-0) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2,3-dihydroxy-2-phenylpropanoate
Also Known As: anisodine, 3-(2'-Hydroxytropoyloxy)-6,7-epoxytropane, (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane, Benzeneacetic acid, alpha-hydroxy-alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, (1alpha,2beta,4beta,5alpha,7beta)-(-)-
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 58072-37-0 |
|---|---|
| SMILES | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)(C4=CC=CC=C4)O |
| InChIKey | JEJREKXHLFEVHN-MWJIJGFASA-N |
Product Overview
(-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane (CAS 58072-37-0), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: [(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2,3-dihydroxy-2-phenylpropanoate.
Chemical Property Profile of (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane
Property Insights of (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane. Following Lipinski's Rule of Five, (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane has 2 hydrogen bond donor(s) and 6 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 (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane?
The CAS number of (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane is 58072-37-0.
What is the molecular formula of (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane?
The molecular formula of (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane is C17H21NO5.
What is the molecular weight of (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane?
The molecular weight of (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane is 319.14 g/mol.
Where can I buy (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane?
You can request a quote for (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane?
Yes, KEHONG BIO provides custom synthesis services for (-)-3alpha-(2,3-Dihydroxy-2-phenylpropionyloxy)-6,7-epoxytropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.