Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-
TL;DR: Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)- (CAS 80651-74-7) is a chemical compound with molecular formula C27H42O7 and molecular weight 478.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Also Known As: Ajugasterone D, 3-Hydroxy-5-cholestan-15-one, Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-, (2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one, 2,3,5,14,20-Pentahydroxy-22,25-epoxycholest-7-en-6-one
| Molecular Formula | C27H42O7 |
|---|---|
| Molecular Weight | 478.29 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 478.29306 |
| Heavy Atoms | 34 |
| Complexity | 930.0 |
Chemical Identifiers
| CAS Number | 80651-74-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C1(CC[C@H]2[C@](C)(C5CCC(O5)(C)C)O)O |
| InChIKey | UVQAWEDRKUWQCJ-BORUEOTKSA-N |
Product Overview
Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)- (CAS 80651-74-7), with molecular formula C27H42O7 and molecular weight 478.29 g/mol. IUPAC: (2S,3R,5S,9R,10R,13R,17R)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,5,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one.
Chemical Property Profile of Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-
Property Insights of Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-. Following Lipinski's Rule of Five, Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)- has 5 hydrogen bond donor(s) and 7 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 Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-?
The CAS number of Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)- is 80651-74-7.
What is the molecular formula of Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-?
The molecular formula of Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)- is C27H42O7.
What is the molecular weight of Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-?
The molecular weight of Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)- is 478.29 g/mol.
Where can I buy Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-?
You can request a quote for Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)-?
Yes, KEHONG BIO provides custom synthesis services for Cholest-7-en-6-one, 22,25-epoxy-2,3,5,14,20-pentahydroxy-, (2beta,3beta,5beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.