drevogenin II
TL;DR: drevogenin II (CAS 125472-06-2) is a chemical compound with molecular formula C30H42O7 and molecular weight 514.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,5S,8R,9S,10S,12R,13S,14S,17R)-12-acetyloxy-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate
Also Known As: Drevogenin II, 12-O-Acetyl-20-O-benzoyl-tomentogenin, 3,14,17-Trihydroxy-12-O-acetyl-20-O-benzoylpregnane, 12-(Acetyloxy)-3,14,17-trihydroxypregnan-20-yl benzoate, 1-[(3S,5S,8R,9S,10S,12R,13S,14S,17R)-12-acetyloxy-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate
| Molecular Formula | C30H42O7 |
|---|---|
| Molecular Weight | 514.29 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.293 |
| Heavy Atoms | 37 |
| Complexity | 900.0 |
Chemical Identifiers
| CAS Number | 125472-06-2 |
|---|---|
| SMILES | CC([C@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)OC(=O)C)C)O)O)OC(=O)C5=CC=CC=C5 |
| InChIKey | MIOQFHJTRPQSEN-PCGKZSNXSA-N |
Product Overview
drevogenin II (CAS 125472-06-2), with molecular formula C30H42O7 and molecular weight 514.29 g/mol. IUPAC: 1-[(3S,5S,8R,9S,10S,12R,13S,14S,17R)-12-acetyloxy-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl benzoate.
Chemical Property Profile of drevogenin II
Property Insights of drevogenin II
The XLogP value of 4.2 indicates that drevogenin II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for drevogenin II. Following Lipinski's Rule of Five, drevogenin II has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of drevogenin II?
The CAS number of drevogenin II is 125472-06-2.
What is the molecular formula of drevogenin II?
The molecular formula of drevogenin II is C30H42O7.
What is the molecular weight of drevogenin II?
The molecular weight of drevogenin II is 514.29 g/mol.
Where can I buy drevogenin II?
You can request a quote for drevogenin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for drevogenin II?
Yes, KEHONG BIO provides custom synthesis services for drevogenin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.