11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)
TL;DR: 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) (CAS 508-96-3) is a chemical compound with molecular formula C27H40O6 and molecular weight 460.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(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] 3,3-dimethylbutanoate
Also Known As: HYDROCORTISONE TEBUTATE, 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate), 11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 3,3-dimethylbutanoate, [2-(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] 3,3-dimethylbutanoate
| Molecular Formula | C27H40O6 |
|---|---|
| Molecular Weight | 460.28 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.2825 |
| Heavy Atoms | 33 |
| Complexity | 884.0 |
Chemical Identifiers
| CAS Number | 508-96-3 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CC(C)(C)C)O)C)O |
| InChIKey | FNFPHNZQOKBKHN-UHFFFAOYSA-N |
Product Overview
11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) (CAS 508-96-3), with molecular formula C27H40O6 and molecular weight 460.28 g/mol. IUPAC: [2-(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] 3,3-dimethylbutanoate.
Chemical Property Profile of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)
Property Insights of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)
The XLogP value of 4.0 indicates that 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) 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-(3,3-dimethylbutyrate). Following Lipinski's Rule of Five, 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) 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
Frequently Asked Questions
What is the CAS number of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)?
The CAS number of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) is 508-96-3.
What is the molecular formula of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)?
The molecular formula of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) is C27H40O6.
What is the molecular weight of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)?
The molecular weight of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) is 460.28 g/mol.
Where can I buy 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)?
You can request a quote for 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)?
Yes, KEHONG BIO provides custom synthesis services for 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.