17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate
TL;DR: 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate (CAS 28439-40-9) is a chemical compound with molecular formula C25H36O7 and molecular weight 448.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-acetyloxy-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: KBio3_002164, Tetrahydrocortisone 3,21-diacetate, 17-hydroxy-11,20-dioxopregnane-3,21-diyl diacetate, 3b,5b-Tetrahydro Cortisone 3,21-Diacetate, 3alpha,17,21-Trihydroxy-5beta-pregnane-11,20-dione 3,21-di(acetate)
| Molecular Formula | C25H36O7 |
|---|---|
| Molecular Weight | 448.25 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.2461 |
| Heavy Atoms | 32 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 28439-40-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)OC(=O)C)C)C)O |
| InChIKey | PXQRJZNDFRAFTF-UHFFFAOYSA-N |
Product Overview
17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate (CAS 28439-40-9), with molecular formula C25H36O7 and molecular weight 448.25 g/mol. IUPAC: [2-(3-acetyloxy-17-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate
Property Insights of 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate. Following Lipinski's Rule of Five, 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate has 1 hydrogen bond donor(s) and 7 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 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate?
The CAS number of 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate is 28439-40-9.
What is the molecular formula of 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate?
The molecular formula of 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate is C25H36O7.
What is the molecular weight of 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate?
The molecular weight of 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate is 448.25 g/mol.
Where can I buy 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate?
You can request a quote for 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-11,20-dioxopregnane-3,21-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.