Bufol
TL;DR: Bufol (CAS 16991-60-9) is a chemical compound with molecular formula C27H48O5 and molecular weight 452.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methylheptan-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: Bufol, 5alpha-Bufol, 5alpha-Cholestane-3alpha,7alpha,12alpha,25,26-pentaol, 5alpha-Cholestane-3alpha,7alpha,12alpha,25,26-pentol, (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methylheptan-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
| Molecular Formula | C27H48O5 |
|---|---|
| Molecular Weight | 452.35 g/mol |
| LogP | 3.4975 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.3502 |
| Heavy Atoms | 32 |
| Complexity | 666.4321 |
Chemical Identifiers
| CAS Number | 16991-60-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
Product Overview
Bufol (CAS 16991-60-9), with molecular formula C27H48O5 and molecular weight 452.35 g/mol. IUPAC: (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methylheptan-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 Bufol
Property Insights of Bufol
The XLogP value of 3.4975 indicates that Bufol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Bufol. Following Lipinski's Rule of Five, Bufol 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 Bufol?
The CAS number of Bufol is 16991-60-9.
What is the molecular formula of Bufol?
The molecular formula of Bufol is C27H48O5.
What is the molecular weight of Bufol?
The molecular weight of Bufol is 452.35 g/mol.
Where can I buy Bufol?
You can request a quote for Bufol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufol?
Yes, KEHONG BIO provides custom synthesis services for Bufol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.