hyoscyamine
TL;DR: hyoscyamine (CAS 912642-93-4) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Also Known As: hyoscyamine, L-Hyoscyamine, Daturine, Duboisine, (-)-Hyoscyamine
| Molecular Formula | C17H23NO3 |
|---|---|
| Molecular Weight | 289.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.1678 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 912642-93-4 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3 |
| InChIKey | RKUNBYITZUJHSG-VFSICIBPSA-N |
Product Overview
hyoscyamine (CAS 912642-93-4), with molecular formula C17H23NO3 and molecular weight 289.17 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of hyoscyamine
Property Insights of hyoscyamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for hyoscyamine. With a topological polar surface area (TPSA) of 49.8 Ų, hyoscyamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, hyoscyamine 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 hyoscyamine?
The CAS number of hyoscyamine is 912642-93-4.
What is the molecular formula of hyoscyamine?
The molecular formula of hyoscyamine is C17H23NO3.
What is the molecular weight of hyoscyamine?
The molecular weight of hyoscyamine is 289.17 g/mol.
Where can I buy hyoscyamine?
You can request a quote for hyoscyamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hyoscyamine?
Yes, KEHONG BIO provides custom synthesis services for hyoscyamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.