3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate
TL;DR: 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate (CAS 50629-89-5) is a chemical compound with molecular formula C24H38O6 and molecular weight 422.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-5,6,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: EINECS 256-665-4, 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate, [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-5,6,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, 3beta-Acetoxy-5,6beta,17-trihydroxy-16alpha-methyl-5alpha-pregn-20-one, 5,6beta,17-Trihydroxy-16alpha-methyl-20-oxo-5alpha-pregnan-3beta-yl acetate
| Molecular Formula | C24H38O6 |
|---|---|
| Molecular Weight | 422.27 g/mol |
| LogP | 2.6126 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.26685 |
| Heavy Atoms | 30 |
| Complexity | 751.9782 |
Chemical Identifiers
| CAS Number | 50629-89-5 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H]([C@]4(C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)OC(=O)C)O)O |
Product Overview
3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate (CAS 50629-89-5), with molecular formula C24H38O6 and molecular weight 422.27 g/mol. IUPAC: [(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-17-acetyl-5,6,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate
Property Insights of 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate
The XLogP value of 2.6126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate. Following Lipinski's Rule of Five, 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate has 3 hydrogen bond donor(s) and 6 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,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate?
The CAS number of 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate is 50629-89-5.
What is the molecular formula of 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate?
The molecular formula of 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate is C24H38O6.
What is the molecular weight of 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate?
The molecular weight of 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate is 422.27 g/mol.
Where can I buy 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate?
You can request a quote for 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.