11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate
TL;DR: 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate (CAS 6678-00-8) is a chemical compound with molecular formula C26H38O6 and molecular weight 446.26685 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] pentanoate
Also Known As: Hydrocortisone 21-Valerate, HYDROCORTISONE VALERATE, Hydrocortisone 21 valerate impurity, 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate, [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] pentanoate
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H38O6 |
| Molecular Weight | 446.26685 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.26685 Da |
| Heavy Atoms | 32 |
| Complexity | 832.0 |
| SMILES | CCCCC(=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 | XHDMDWMKAYYIRK-FZNHGJLXSA-N |
Chemical Property Profile of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate
Property Insights of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate
The XLogP value of 3.6 indicates that 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate 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-valerate. Following Lipinski's Rule of Five, 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate 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-valerate?
The CAS number of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate is 6678-00-8.
What is the molecular formula of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate?
The molecular formula of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate is C26H38O6.
What is the molecular weight of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate?
The molecular weight of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate is 446.26685 g/mol.
Where can I buy 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate?
You can request a quote for 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate 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-valerate?
Yes, CoreyChem provides custom synthesis services for 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.