山莨菪碱
TL;DR: 山莨菪碱 (CAS 55869-99-3) 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.
山莨菪碱
[(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Also Known As: anisodamine, 6-Hydroxy hyoscyamine, 6-Hydroxyhyoscyamine, anisodamine hydrobromide, 654-II
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 55869-99-3 |
|---|---|
| SMILES | CN1C2C[C@@H](CC1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3 |
| InChIKey | WTQYWNWRJNXDEG-BJWPUDQFSA-N |
Product Overview
山莨菪碱 (CAS 55869-99-3), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: [(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 山莨菪碱
Property Insights of 山莨菪碱
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 山莨菪碱. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 山莨菪碱. Following Lipinski's Rule of Five, 山莨菪碱 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 山莨菪碱?
The CAS number of 山莨菪碱 is 55869-99-3.
What is the molecular formula of 山莨菪碱?
The molecular formula of 山莨菪碱 is C17H23NO4.
What is the molecular weight of 山莨菪碱?
The molecular weight of 山莨菪碱 is 305.16 g/mol.
Where can I buy 山莨菪碱?
You can request a quote for 山莨菪碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山莨菪碱?
Yes, KEHONG BIO provides custom synthesis services for 山莨菪碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.