Theasapogenol B
TL;DR: Theasapogenol B (CAS 20781-07-1) is a chemical compound with molecular formula C30H50O5 and molecular weight 490.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
Also Known As: Theasapogenol B, Jegosapogenol A, Escinidin, Barringtogenol C, Jegosapogenol
| Molecular Formula | C30H50O5 |
|---|---|
| Molecular Weight | 490.37 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 490.3658 |
| Heavy Atoms | 35 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 20781-07-1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC([C@H]([C@@H]5O)O)(C)C)CO)O)C)C)(C)C)O |
| InChIKey | AYDKOFQQBHRXEW-AAUPIIFFSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theasapogenol B (CAS 20781-07-1), with molecular formula C30H50O5 and molecular weight 490.37 g/mol. IUPAC: (3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol.
Chemical Property Profile of Theasapogenol B
Property Insights of Theasapogenol B
The XLogP value of 4.6 indicates that Theasapogenol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theasapogenol B. Following Lipinski's Rule of Five, Theasapogenol B has 5 hydrogen bond donor(s) and 5 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 Theasapogenol B?
The CAS number of Theasapogenol B is 20781-07-1.
What is the molecular formula of Theasapogenol B?
The molecular formula of Theasapogenol B is C30H50O5.
What is the molecular weight of Theasapogenol B?
The molecular weight of Theasapogenol B is 490.37 g/mol.
Where can I buy Theasapogenol B?
You can request a quote for Theasapogenol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theasapogenol B?
Yes, KEHONG BIO provides custom synthesis services for Theasapogenol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.