海柯皂苷元
TL;DR: 海柯皂苷元 (CAS 467-55-0) is a chemical compound with molecular formula C27H42O4 and molecular weight 430.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海柯皂苷元
16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Also Known As: hecogenin, Hocogenin, Hecogenin [M+H]+, 3-Hydroxyspirostan-12-one, 3-Hydroxyspirostan-12-one #
| Molecular Formula | C27H42O4 |
|---|---|
| Molecular Weight | 430.31 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 430.30832 |
| Heavy Atoms | 31 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 467-55-0 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
| InChIKey | QOLRLLFJMZLYQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
海柯皂苷元 (CAS 467-55-0), with molecular formula C27H42O4 and molecular weight 430.31 g/mol. IUPAC: 16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one.
Chemical Property Profile of 海柯皂苷元
Property Insights of 海柯皂苷元
The XLogP value of 4.8 indicates that 番麻皂素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 海柯皂苷元 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 番麻皂素 has 1 hydrogen bond donor(s) and 4 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 番麻皂素?
The CAS number of 番麻皂素 is 467-55-0.
What is the molecular formula of 番麻皂素?
The molecular formula of 番麻皂素 is C27H42O4.
What is the molecular weight of 番麻皂素?
The molecular weight of 番麻皂素 is 430.31 g/mol.
Where can I buy 番麻皂素?
You can request a quote for 番麻皂素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 番麻皂素?
Yes, KEHONG BIO provides custom synthesis services for 番麻皂素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.