Daemet-17,3-OL
TL;DR: Daemet-17,3-OL (CAS 74178-54-4) is a chemical compound with molecular formula C25H30O4 and molecular weight 394.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,13S)-1-acetyl-17-ethynyl-17-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Daemet-17,3-OL, 1,3-Diacetyl-17alpha-ethinyl-7alpha-methyl-1,3,5(10)estratriene-17,3-ol, 1-Acetyl-17-hydroxy-7-methyl-19-norpregna-1(10),2,4-trien-20-yn-3-yl acetate, (8xi,9xi,14xi,17xi)-1-Acetyl-17-hydroxy-7alpha-methyl-19-norpregna-1(10),2,4-trien-20-yn-3-yl acetate, Ethanone, 1-((7alpha,17alpha)-3-(acetyloxy)-17-hydroxy-7-methyl-19-norpregna-1,3,5(10)-trien-20-yn-1-yl)-
| Molecular Formula | C25H30O4 |
|---|---|
| Molecular Weight | 394.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.21442 |
| Heavy Atoms | 29 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 74178-54-4 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C3C1C4CCC([C@]4(CC3)C)(C#C)O)C(=CC(=C2)OC(=O)C)C(=O)C |
| InChIKey | IVBUDCKHPHDZSA-ULLMVNOGSA-N |
Product Overview
Daemet-17,3-OL (CAS 74178-54-4), with molecular formula C25H30O4 and molecular weight 394.21 g/mol. IUPAC: [(7R,13S)-1-acetyl-17-ethynyl-17-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Daemet-17,3-OL
Property Insights of Daemet-17,3-OL
The XLogP value of 3.9 indicates that Daemet-17,3-OL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Daemet-17,3-OL. Following Lipinski's Rule of Five, Daemet-17,3-OL has 1 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 Daemet-17,3-OL?
The CAS number of Daemet-17,3-OL is 74178-54-4.
What is the molecular formula of Daemet-17,3-OL?
The molecular formula of Daemet-17,3-OL is C25H30O4.
What is the molecular weight of Daemet-17,3-OL?
The molecular weight of Daemet-17,3-OL is 394.21 g/mol.
Where can I buy Daemet-17,3-OL?
You can request a quote for Daemet-17,3-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daemet-17,3-OL?
Yes, KEHONG BIO provides custom synthesis services for Daemet-17,3-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.