Dihydroboucerin
TL;DR: Dihydroboucerin (CAS 18463-32-6) is a chemical compound with molecular formula C21H36O4 and molecular weight 352.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol
Also Known As: Dihydroboucerin, Boucerin, dihydro-, Pregnane-3,12,14,20-tetrol, 5alpha,14beta-Pregnane-3beta,12beta,14,20beta-tetrol, (20R)-5alpha,14beta-Pregnane-3beta,12beta,14,20-tetrol
| Molecular Formula | C21H36O4 |
|---|---|
| Molecular Weight | 352.26 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.26135 |
| Heavy Atoms | 25 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 18463-32-6 |
|---|---|
| SMILES | C[C@H]([C@H]1CC[C@]2([C@@]1([C@@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O)O |
| InChIKey | FTIPFRDCMUGVRU-YSOIMIBMSA-N |
Product Overview
Dihydroboucerin (CAS 18463-32-6), with molecular formula C21H36O4 and molecular weight 352.26 g/mol. IUPAC: (3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol.
Chemical Property Profile of Dihydroboucerin
Property Insights of Dihydroboucerin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydroboucerin. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydroboucerin. Following Lipinski's Rule of Five, Dihydroboucerin has 4 hydrogen bond donor(s) and 4 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 Dihydroboucerin?
The CAS number of Dihydroboucerin is 18463-32-6.
What is the molecular formula of Dihydroboucerin?
The molecular formula of Dihydroboucerin is C21H36O4.
What is the molecular weight of Dihydroboucerin?
The molecular weight of Dihydroboucerin is 352.26 g/mol.
Where can I buy Dihydroboucerin?
You can request a quote for Dihydroboucerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroboucerin?
Yes, KEHONG BIO provides custom synthesis services for Dihydroboucerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.