17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate
TL;DR: 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate (CAS 104121-42-8) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,10R,11R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
Also Known As: KST-1A0414, 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate, (11, A,17, A)-17-hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 104121-42-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@]2(C)O)[C@H]3[C@H]1[C@]4(CCC(=O)C=C4CC3)C)C |
| InChIKey | FSKYYHQTBLJUML-KAKDVIIHSA-N |
Product Overview
17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate (CAS 104121-42-8), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: [(8S,9S,10R,11R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate.
Chemical Property Profile of 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate
Property Insights of 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate. Following Lipinski's Rule of Five, 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate 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 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate?
The CAS number of 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate is 104121-42-8.
What is the molecular formula of 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate?
The molecular formula of 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate is C22H32O4.
What is the molecular weight of 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate?
The molecular weight of 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate is 360.23 g/mol.
Where can I buy 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate?
You can request a quote for 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-17-methyl-3-oxoandrost-4-en-11-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.