Hyoscyamine Impurity 9
TL;DR: Hyoscyamine Impurity 9 (CAS 76831-52-2) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
Also Known As: Hyoscyamine Impurity 9, (6S,2 R)-Anisodamine, J2.087.146F, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-3-hydroxy-2-phenylpropanoate, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (R)-3-hydroxy-2-phenylpropanoate
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 0.9017 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 520.65 |
Chemical Identifiers
| CAS Number | 76831-52-2 |
|---|---|
| SMILES | CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@@H](CO)C3=CC=CC=C3 |
Product Overview
Hyoscyamine Impurity 9 (CAS 76831-52-2), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of Hyoscyamine Impurity 9
Property Insights of Hyoscyamine Impurity 9
The XLogP value of 0.9017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hyoscyamine Impurity 9. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hyoscyamine Impurity 9. Following Lipinski's Rule of Five, Hyoscyamine Impurity 9 has 2 hydrogen bond donor(s) and 5 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 Hyoscyamine Impurity 9?
The CAS number of Hyoscyamine Impurity 9 is 76831-52-2.
What is the molecular formula of Hyoscyamine Impurity 9?
The molecular formula of Hyoscyamine Impurity 9 is C17H23NO4.
What is the molecular weight of Hyoscyamine Impurity 9?
The molecular weight of Hyoscyamine Impurity 9 is 305.16 g/mol.
Where can I buy Hyoscyamine Impurity 9?
You can request a quote for Hyoscyamine Impurity 9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hyoscyamine Impurity 9?
Yes, KEHONG BIO provides custom synthesis services for Hyoscyamine Impurity 9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.