薯蓣碱
TL;DR: 薯蓣碱 (CAS 3329-91-7) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
薯蓣碱
(1R,4R,5S)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one
Also Known As: DIOSCOREINUM, DIOSCORINE [MI], DIOSCORINE [HSDB], DIOSCOREINUM [HPUS], (1R)-1-hydroxy-3,6-dioxabicyclo<3.2.1>octan-2-one
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 3329-91-7 |
|---|---|
| SMILES | CC1=CC(=O)O[C@@]2(C1)C[C@H]3CC[C@@H]2CN3C |
| InChIKey | YBQKKTNDAXVYGX-WZRBSPASSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
薯蓣碱 (CAS 3329-91-7), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: (1R,4R,5S)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one.
Chemical Property Profile of 薯蓣碱
Property Insights of 薯蓣碱
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 薯蓣碱. With a topological polar surface area (TPSA) of 29.5 Ų, 薯蓣碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 薯蓣碱 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 薯蓣碱?
The CAS number of 薯蓣碱 is 3329-91-7.
What is the molecular formula of 薯蓣碱?
The molecular formula of 薯蓣碱 is C13H19NO2.
What is the molecular weight of 薯蓣碱?
The molecular weight of 薯蓣碱 is 221.14 g/mol.
Where can I buy 薯蓣碱?
You can request a quote for 薯蓣碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 薯蓣碱?
Yes, KEHONG BIO provides custom synthesis services for 薯蓣碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.