(3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one
TL;DR: (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one (CAS 57-16-9) is a chemical compound with molecular formula C24H36O4 and molecular weight 388.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: BL 141, 3-Hydroxy-6-alpha-methyl-17-acetoxyprogesterone, 3-beta,17-Dihydroxy-6-alpha-methylpregn-4-en-20-one 17-acetate, (3beta,6alpha)-17-(acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one, Pregn-4-en-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3-beta,6-alpha)-
| Molecular Formula | C24H36O4 |
|---|---|
| Molecular Weight | 388.26 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.26135 |
| Heavy Atoms | 28 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 57-16-9 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)O)C |
| InChIKey | ODVZWAWQENIRKD-CKRBXLRKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one (CAS 57-16-9), with molecular formula C24H36O4 and molecular weight 388.26 g/mol. IUPAC: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one
Property Insights of (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one
The XLogP value of 3.9 indicates that (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one 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,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one. Following Lipinski's Rule of Five, (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one 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 (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one?
The CAS number of (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one is 57-16-9.
What is the molecular formula of (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one?
The molecular formula of (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one is C24H36O4.
What is the molecular weight of (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one?
The molecular weight of (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one is 388.26 g/mol.
Where can I buy (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one?
You can request a quote for (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for (3beta,6alpha)-17-(Acetyloxy)-3-hydroxy-6-methyl-pregn-4-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.