Anhydroscymnol
TL;DR: Anhydroscymnol (CAS 567-68-0) is a chemical compound with molecular formula C27H46O5 and molecular weight 450.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-[(2R)-3-(hydroxymethyl)oxetan-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Also Known As: Anhydroscymnol, 24,26-Epoxy-5beta-cholestane-3alpha,7alpha,12alpha,27-tetrol, (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-[(2R)-3-(hydroxymethyl)oxetan-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, 24,26-epoxy-5 beta-cholestane-3 alpha,7 alpha,12 alpha,27-tetrol, Cholestane-3,7,12,26-tetrol, 24,27-epoxy-, (3alpha,5beta,7alpha,12alpha,24R)-
| Molecular Formula | C27H46O5 |
|---|---|
| Molecular Weight | 450.33 g/mol |
| LogP | 3.3714 |
| Topological Polar Surface Area | 90.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.33453 |
| Heavy Atoms | 32 |
| Complexity | 682.9579 |
Chemical Identifiers
| CAS Number | 567-68-0 |
|---|---|
| SMILES | C[C@H](CC[C@@H]1C(CO1)CO)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C |
Product Overview
Anhydroscymnol (CAS 567-68-0), with molecular formula C27H46O5 and molecular weight 450.33 g/mol. IUPAC: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-[(2R)-3-(hydroxymethyl)oxetan-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol.
Chemical Property Profile of Anhydroscymnol
Property Insights of Anhydroscymnol
The XLogP value of 3.3714 indicates that Anhydroscymnol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Anhydroscymnol. Following Lipinski's Rule of Five, Anhydroscymnol 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 Anhydroscymnol?
The CAS number of Anhydroscymnol is 567-68-0.
What is the molecular formula of Anhydroscymnol?
The molecular formula of Anhydroscymnol is C27H46O5.
What is the molecular weight of Anhydroscymnol?
The molecular weight of Anhydroscymnol is 450.33 g/mol.
Where can I buy Anhydroscymnol?
You can request a quote for Anhydroscymnol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anhydroscymnol?
Yes, KEHONG BIO provides custom synthesis services for Anhydroscymnol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.