11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate
TL;DR: 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate (CAS 3386-05-8) is a chemical compound with molecular formula C24H34O4 and molecular weight 386.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]ethyl acetate
Also Known As: 11-hydroxy-6-methyl-3-oxopregna-4,17-dien-21-yl acetate, 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate, 11beta-Hydroxy-6alpha-methyl-3-oxopregna-4,17-dien-21-yl acetate, 2-[(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]ethyl acetate, EINECS 222-205-6
| Molecular Formula | C24H34O4 |
|---|---|
| Molecular Weight | 386.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.2457 |
| Heavy Atoms | 28 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 3386-05-8 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CCC(=CCOC(=O)C)[C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C |
| InChIKey | NLUGGDMYWGAERB-TVHFUECYSA-N |
Product Overview
11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate (CAS 3386-05-8), with molecular formula C24H34O4 and molecular weight 386.25 g/mol. IUPAC: 2-[(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]ethyl acetate.
Chemical Property Profile of 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate
Property Insights of 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate
The XLogP value of 3.2 indicates that 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-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 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate. Following Lipinski's Rule of Five, 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-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
Frequently Asked Questions
What is the CAS number of 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate?
The CAS number of 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate is 3386-05-8.
What is the molecular formula of 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate?
The molecular formula of 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate is C24H34O4.
What is the molecular weight of 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate?
The molecular weight of 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate is 386.25 g/mol.
Where can I buy 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate?
You can request a quote for 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate?
Yes, KEHONG BIO provides custom synthesis services for 11beta,21-Dihydroxy-6alpha-methylpregna-4,17(20)-dien-3-one 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.