萍蓬草碱
TL;DR: 萍蓬草碱 (CAS 468-89-3) is a chemical compound with molecular formula C15H23NO2 and molecular weight 249.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
萍蓬草碱
(1R,4S,5R,7S,9aS)-4-(furan-3-yl)-1,7-dimethyl-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium
Also Known As: nupharidine, (+)-Nupharidine, Nupharidine [MI], Nupharidine, (+)-, (1R,4S,5R,7S,9aS)-4-(3-Furanyl)octahydro-1,7-dimethyl-2H-quinolizine 5-oxide
| Molecular Formula | C15H23NO2 |
|---|---|
| Molecular Weight | 249.17 g/mol |
| LogP | 3.8637 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.17288 |
| Heavy Atoms | 18 |
| Complexity | 402.63593 |
Chemical Identifiers
| CAS Number | 468-89-3 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@H](CC[C@H]([N@+]2(C1)[O-])C3=COC=C3)C |
Product Overview
萍蓬草碱 (CAS 468-89-3), with molecular formula C15H23NO2 and molecular weight 249.17 g/mol. IUPAC: (1R,4S,5R,7S,9aS)-4-(furan-3-yl)-1,7-dimethyl-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium.
Chemical Property Profile of 萍蓬草碱
Property Insights of 萍蓬草碱
The XLogP value of 3.8637 indicates that 萍蓬草碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.2 Ų, 萍蓬草碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 萍蓬草碱 has 0 hydrogen bond donor(s) and 2 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 萍蓬草碱?
The CAS number of 萍蓬草碱 is 468-89-3.
What is the molecular formula of 萍蓬草碱?
The molecular formula of 萍蓬草碱 is C15H23NO2.
What is the molecular weight of 萍蓬草碱?
The molecular weight of 萍蓬草碱 is 249.17 g/mol.
Where can I buy 萍蓬草碱?
You can request a quote for 萍蓬草碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 萍蓬草碱?
Yes, KEHONG BIO provides custom synthesis services for 萍蓬草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.