3,23-Dihydroxyolean-12-en-22-one
TL;DR: 3,23-Dihydroxyolean-12-en-22-one (CAS 6750-59-0) is a chemical compound with molecular formula C30H48O3 and molecular weight 456.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one
Also Known As: Soyasapogenol E, 3,23-Dihydroxyolean-12-en-22-one, (5xi)-3beta,24-Dihydroxy-18alpha-olean-12-en-22-one, (4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 6.3203 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 888.9726 |
Chemical Identifiers
| CAS Number | 6750-59-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5=O)(C)C)C)C)C)(C)CO)O |
Product Overview
3,23-Dihydroxyolean-12-en-22-one (CAS 6750-59-0), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one.
Chemical Property Profile of 3,23-Dihydroxyolean-12-en-22-one
Property Insights of 3,23-Dihydroxyolean-12-en-22-one
The XLogP value of 6.3203 indicates that 3,23-Dihydroxyolean-12-en-22-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 3,23-Dihydroxyolean-12-en-22-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,23-Dihydroxyolean-12-en-22-one has 2 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 3,23-Dihydroxyolean-12-en-22-one?
The CAS number of 3,23-Dihydroxyolean-12-en-22-one is 6750-59-0.
What is the molecular formula of 3,23-Dihydroxyolean-12-en-22-one?
The molecular formula of 3,23-Dihydroxyolean-12-en-22-one is C30H48O3.
What is the molecular weight of 3,23-Dihydroxyolean-12-en-22-one?
The molecular weight of 3,23-Dihydroxyolean-12-en-22-one is 456.36 g/mol.
Where can I buy 3,23-Dihydroxyolean-12-en-22-one?
You can request a quote for 3,23-Dihydroxyolean-12-en-22-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,23-Dihydroxyolean-12-en-22-one?
Yes, KEHONG BIO provides custom synthesis services for 3,23-Dihydroxyolean-12-en-22-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.