Hederagenin
TL;DR: Hederagenin (CAS 168254-95-3) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Hederagenin, Scutellaric acid, Caulosapogenin, Wilforol C, Hederagenol
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 168254-95-3 |
|---|---|
| SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C |
| InChIKey | PGOYMURMZNDHNS-UHFFFAOYSA-N |
Product Overview
Hederagenin (CAS 168254-95-3), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: 10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Hederagenin
Property Insights of Hederagenin
The XLogP value of 6.8 indicates that Hederagenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hederagenin. Following Lipinski's Rule of Five, Hederagenin has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hederagenin?
The CAS number of Hederagenin is 168254-95-3.
What is the molecular formula of Hederagenin?
The molecular formula of Hederagenin is C30H48O4.
What is the molecular weight of Hederagenin?
The molecular weight of Hederagenin is 472.36 g/mol.
Where can I buy Hederagenin?
You can request a quote for Hederagenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hederagenin?
Yes, KEHONG BIO provides custom synthesis services for Hederagenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.