Drevogenin I
TL;DR: Drevogenin I (CAS 125310-02-3) is a chemical compound with molecular formula C31H52O10 and molecular weight 584.356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3S,5S,9R,10S,12R,13R,14R,17R)-12-(3-carboxy-2-methylpropyl)-3,8,12,14,17-pentahydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-methylhexanoic acid
Also Known As: Drevogenin I, 3,8,14,17-Tetrahydroxy-12-O-isovaleryl-20-O-isovalerylpregnane, 5-[(3S,5S,9R,10S,12R,13R,14R,17R)-12-(3-carboxy-2-methylpropyl)-3,8,12,14,17-pentahydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-methylhexanoic acid, 5-hydroxy-3-methyl-5-[(3S,5S,9R,10S,12R,13R,14R,17R)-3,8,12,14,17-pentahydroxy-12-(4-hydroxy-2-methyl-4-oxobutyl)-10,13-dimethyl-2,3,4,5,6,7,9,11,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoic acid, Pregnane-3,8,12,14,17,20-hexol, 12,20-bis(3-methylbutanoate), (3beta,5alpha,12beta,14beta,17alpha)-
Technical Specifications
| Molecular Formula | C31H52O10 |
| Molecular Weight | 584.356 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 196.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 584.356 Da |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
| SMILES | CC(CC(=O)O)C[C@]1(C[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CCC2([C@@]4([C@]1([C@](CC4)(C(C)(CC(C)CC(=O)O)O)O)C)O)O)O)C)O |
| InChIKey | OTZYYNTXVLTKKL-KVKDWLGPSA-N |
Chemical Property Profile of Drevogenin I
Property Insights of Drevogenin I
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Drevogenin I. The TPSA of 196.0 Ų indicates high polarity, suggesting Drevogenin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Drevogenin I has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Drevogenin I?
The CAS number of Drevogenin I is 125310-02-3.
What is the molecular formula of Drevogenin I?
The molecular formula of Drevogenin I is C31H52O10.
What is the molecular weight of Drevogenin I?
The molecular weight of Drevogenin I is 584.356 g/mol.
Where can I buy Drevogenin I?
You can request a quote for Drevogenin I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Drevogenin I?
Yes, CoreyChem provides custom synthesis services for Drevogenin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.