3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate
TL;DR: 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate (CAS 1173-09-7) is a chemical compound with molecular formula C24H36O4 and molecular weight 388.26135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: hydrochloride, KST-1A0818, 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate, 3-Hydroxy-16-methyl-20-oxopregn-5-en-21-yl acetate, [2-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Technical Specifications
| Molecular Formula | C24H36O4 |
| Molecular Weight | 388.26135 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.26135 Da |
| Heavy Atoms | 28 |
| Complexity | 697.0 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)COC(=O)C)C)C)O |
| InChIKey | LIZWBGZACPSUNY-MDXUQPGDSA-N |
Chemical Property Profile of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate
Property Insights of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate
The XLogP value of 4.6 indicates that 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate 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 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate. Following Lipinski's Rule of Five, 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-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
What is the CAS number of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate?
The CAS number of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate is 1173-09-7.
What is the molecular formula of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate?
The molecular formula of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate is C24H36O4.
What is the molecular weight of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate?
The molecular weight of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate is 388.26135 g/mol.
Where can I buy 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate?
You can request a quote for 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate?
Yes, CoreyChem provides custom synthesis services for 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.