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11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) structure
Fine Chemical

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 460.2825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

[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

CAS Number
508-96-3
Molecular Formula
C27H40O6
Molecular Weight
460.2825 g/mol
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Technical Specifications

Molecular FormulaC27H40O6
Molecular Weight460.2825 g/mol
XLogP4.0
Topological Polar Surface Area (TPSA)101.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass460.2825 Da
Heavy Atoms33
Complexity884.0
SMILESCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CC(C)(C)C)O)C)O
InChIKeyFNFPHNZQOKBKHN-UHFFFAOYSA-N

Product Description

Applications: 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) (CAS 508-96-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) (CAS 508-96-3) is a fine chemical with the molecular formula C27H40O6 and a molecular weight of 460.28 g/mol. It is also known as HYDROCORTISONE TEBUTATE and 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate).

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)

XLogP
4.0
TPSA (Topological Polar Surface Area)
101.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
33
Complexity
884.0
Exact Mass
460.2825
Monoisotopic Mass
460.2825
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

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

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 460.2825 g/mol.

What are the applications of 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate)?

11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(3,3-dimethylbutyrate) (CAS...

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 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-(3,3-dimethylbutyrate)?

Yes, CoreyChem 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.

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