薯蓣皂苷配基
TL;DR: 薯蓣皂苷配基 (CAS 512-04-9) is a chemical compound with molecular formula C27H42O3 and molecular weight 414.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
薯蓣皂苷配基
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
Also Known As: DIOSGENIN, Nitogenin, Diosgenine, diosignin, nitrogen in
| Molecular Formula | C27H42O3 |
|---|---|
| Molecular Weight | 414.31 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 414.3134 |
| Heavy Atoms | 30 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 512-04-9 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 |
| InChIKey | WQLVFSAGQJTQCK-VKROHFNGSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
薯蓣皂苷配基 (CAS 512-04-9), with molecular formula C27H42O3 and molecular weight 414.31 g/mol. IUPAC: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol.
Chemical Property Profile of 薯蓣皂苷配基
Property Insights of 薯蓣皂苷配基
The XLogP value of 5.7 indicates that 薯蓣皂苷配基 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 薯蓣皂苷配基 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 薯蓣皂苷配基 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 薯蓣皂苷配基?
The CAS number of 薯蓣皂苷配基 is 512-04-9.
What is the molecular formula of 薯蓣皂苷配基?
The molecular formula of 薯蓣皂苷配基 is C27H42O3.
What is the molecular weight of 薯蓣皂苷配基?
The molecular weight of 薯蓣皂苷配基 is 414.31 g/mol.
Where can I buy 薯蓣皂苷配基?
You can request a quote for 薯蓣皂苷配基 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 薯蓣皂苷配基?
Yes, KEHONG BIO provides custom synthesis services for 薯蓣皂苷配基 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.