4,4-Dimethylandrost-5-ene-3,17-dione
TL;DR: 4,4-Dimethylandrost-5-ene-3,17-dione (CAS 22319-48-8) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Also Known As: 4,4-dimethylandrost-5-ene-3,17-dione, Estra-1,5(10),16-tetraene-3,17-diol,diacetate, Androst-5-ene-3,17-dione,4,4-dimethyl- (7CI,8CI,9CI), (8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione, (8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-1,2,7,8,9,11,12,14
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 22319-48-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(=O)C4(C)C)C |
| InChIKey | NJLJJFIONZORRL-VMRCMBGLSA-N |
Product Overview
4,4-Dimethylandrost-5-ene-3,17-dione (CAS 22319-48-8), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: (8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 4,4-Dimethylandrost-5-ene-3,17-dione
Property Insights of 4,4-Dimethylandrost-5-ene-3,17-dione
The XLogP value of 3.8 indicates that 4,4-Dimethylandrost-5-ene-3,17-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 4,4-Dimethylandrost-5-ene-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethylandrost-5-ene-3,17-dione has 0 hydrogen bond donor(s) and 2 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 4,4-Dimethylandrost-5-ene-3,17-dione?
The CAS number of 4,4-Dimethylandrost-5-ene-3,17-dione is 22319-48-8.
What is the molecular formula of 4,4-Dimethylandrost-5-ene-3,17-dione?
The molecular formula of 4,4-Dimethylandrost-5-ene-3,17-dione is C21H30O2.
What is the molecular weight of 4,4-Dimethylandrost-5-ene-3,17-dione?
The molecular weight of 4,4-Dimethylandrost-5-ene-3,17-dione is 314.22 g/mol.
Where can I buy 4,4-Dimethylandrost-5-ene-3,17-dione?
You can request a quote for 4,4-Dimethylandrost-5-ene-3,17-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethylandrost-5-ene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethylandrost-5-ene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.