11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate
TL;DR: 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate (CAS 6678-15-5) is a chemical compound with molecular formula C28H42O6 and molecular weight 474.29813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] heptanoate
Also Known As: 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate, 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl heptanoate, 11beta,17,21-trihydroxypregn-4-ene-3,20-dione21-heptanoate, 11beta,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl heptanoate, Heptanoic acid 11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester
Technical Specifications
| Molecular Formula | C28H42O6 |
| Molecular Weight | 474.29813 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.29813 Da |
| Heavy Atoms | 34 |
| Complexity | 863.0 |
| SMILES | CCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O |
| InChIKey | QITCVLFQEFWECI-SLPNHVECSA-N |
Chemical Property Profile of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate
Property Insights of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate
The XLogP value of 4.7 indicates that 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate. Following Lipinski's Rule of Five, 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate?
The CAS number of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate is 6678-15-5.
What is the molecular formula of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate?
The molecular formula of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate is C28H42O6.
What is the molecular weight of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate?
The molecular weight of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate is 474.29813 g/mol.
Where can I buy 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate?
You can request a quote for 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate?
Yes, CoreyChem provides custom synthesis services for 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.