剑麻皂素
TL;DR: 剑麻皂素 (CAS 470-01-9) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
剑麻皂素
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
Also Known As: Tigogenin, Sarsasapogenin, Smilagenin, Spirostan-3-ol, epi-Sarsasapogenin
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 470-01-9 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
| InChIKey | GMBQZIIUCVWOCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
剑麻皂素 (CAS 470-01-9), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol.
Chemical Property Profile of 剑麻皂素
Property Insights of 剑麻皂素
The XLogP value of 6.5 indicates that 剑麻皂素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 剑麻皂素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 剑麻皂素 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 剑麻皂素?
The CAS number of 剑麻皂素 is 470-01-9.
What is the molecular formula of 剑麻皂素?
The molecular formula of 剑麻皂素 is C27H44O3.
What is the molecular weight of 剑麻皂素?
The molecular weight of 剑麻皂素 is 416.33 g/mol.
Where can I buy 剑麻皂素?
You can request a quote for 剑麻皂素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 剑麻皂素?
Yes, KEHONG BIO provides custom synthesis services for 剑麻皂素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.