16,21,22,28-Tetrahydroxyolean-12-en-3-one
TL;DR: 16,21,22,28-Tetrahydroxyolean-12-en-3-one (CAS 64285-94-5) is a chemical compound with molecular formula C30H48O5 and molecular weight 488.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,6bS,8R,8aR,9R,10R,12aR,14aR,14bR)-8,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
Also Known As: Bemeuxin, 16,21,22,28-Tetrahydroxyolean-12-en-3-one, 5-(chloromethyl)octan-4-ylbenzene, 1-(Dibromomethylidene)-4-methylcyclohexane, (6aR,6bS,8R,8aR,9R,10R,12aR,14aR,14bR)-8,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
| Molecular Formula | C30H48O5 |
|---|---|
| Molecular Weight | 488.35 g/mol |
| LogP | 4.2619 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 488.3502 |
| Heavy Atoms | 35 |
| Complexity | 952.39355 |
Chemical Identifiers
| CAS Number | 64285-94-5 |
|---|---|
| SMILES | C[C@]12CCC(=O)C(C1CC[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 |
Product Overview
16,21,22,28-Tetrahydroxyolean-12-en-3-one (CAS 64285-94-5), with molecular formula C30H48O5 and molecular weight 488.35 g/mol. IUPAC: (6aR,6bS,8R,8aR,9R,10R,12aR,14aR,14bR)-8,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one.
Chemical Property Profile of 16,21,22,28-Tetrahydroxyolean-12-en-3-one
Property Insights of 16,21,22,28-Tetrahydroxyolean-12-en-3-one
The XLogP value of 4.2619 indicates that 16,21,22,28-Tetrahydroxyolean-12-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 16,21,22,28-Tetrahydroxyolean-12-en-3-one. Following Lipinski's Rule of Five, 16,21,22,28-Tetrahydroxyolean-12-en-3-one has 4 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 16,21,22,28-Tetrahydroxyolean-12-en-3-one?
The CAS number of 16,21,22,28-Tetrahydroxyolean-12-en-3-one is 64285-94-5.
What is the molecular formula of 16,21,22,28-Tetrahydroxyolean-12-en-3-one?
The molecular formula of 16,21,22,28-Tetrahydroxyolean-12-en-3-one is C30H48O5.
What is the molecular weight of 16,21,22,28-Tetrahydroxyolean-12-en-3-one?
The molecular weight of 16,21,22,28-Tetrahydroxyolean-12-en-3-one is 488.35 g/mol.
Where can I buy 16,21,22,28-Tetrahydroxyolean-12-en-3-one?
You can request a quote for 16,21,22,28-Tetrahydroxyolean-12-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16,21,22,28-Tetrahydroxyolean-12-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 16,21,22,28-Tetrahydroxyolean-12-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.