Soyasapogenol B
TL;DR: Soyasapogenol B (CAS 595-15-3) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
Also Known As: Soyasapogenol B, soyasapogenin B, soyasapogenol-B, 24-hydroxysophoradiol, SOYASAPOGENOL B(P)
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 847.0 |
| Melting Point | 258 - 259 °C |
Chemical Identifiers
| CAS Number | 595-15-3 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O |
| InChIKey | YOQAQNKGFOLRGT-UXXABWCISA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Soyasapogenol B (CAS 595-15-3), with molecular formula C30H50O3 and molecular weight 458.38 g/mol. IUPAC: (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol.
Chemical Property Profile of Soyasapogenol B
Property Insights of Soyasapogenol B
The XLogP value of 7.0 indicates that Soyasapogenol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Soyasapogenol B. Following Lipinski's Rule of Five, Soyasapogenol B has 3 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 Soyasapogenol B?
The CAS number of Soyasapogenol B is 595-15-3.
What is the molecular formula of Soyasapogenol B?
The molecular formula of Soyasapogenol B is C30H50O3.
What is the molecular weight of Soyasapogenol B?
The molecular weight of Soyasapogenol B is 458.38 g/mol.
Where can I buy Soyasapogenol B?
You can request a quote for Soyasapogenol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soyasapogenol B?
Yes, KEHONG BIO provides custom synthesis services for Soyasapogenol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.