20-Oxopregnane-3,21-diyl diacetate
TL;DR: 20-Oxopregnane-3,21-diyl diacetate (CAS 40129-02-0) is a chemical compound with molecular formula C25H38O5 and molecular weight 418.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: 20-oxopregnane-3,21-diyl diacetate, [2-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate, [2-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate, RefChem:267448
| Molecular Formula | C25H38O5 |
|---|---|
| Molecular Weight | 418.27 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.2719 |
| Heavy Atoms | 30 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 40129-02-0 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | AELZDZIWKOZSSW-UHFFFAOYSA-N |
Product Overview
20-Oxopregnane-3,21-diyl diacetate (CAS 40129-02-0), with molecular formula C25H38O5 and molecular weight 418.27 g/mol. IUPAC: [2-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 20-Oxopregnane-3,21-diyl diacetate
Property Insights of 20-Oxopregnane-3,21-diyl diacetate
The XLogP value of 5.4 indicates that 20-Oxopregnane-3,21-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-Oxopregnane-3,21-diyl diacetate. Following Lipinski's Rule of Five, 20-Oxopregnane-3,21-diyl diacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 20-Oxopregnane-3,21-diyl diacetate?
The CAS number of 20-Oxopregnane-3,21-diyl diacetate is 40129-02-0.
What is the molecular formula of 20-Oxopregnane-3,21-diyl diacetate?
The molecular formula of 20-Oxopregnane-3,21-diyl diacetate is C25H38O5.
What is the molecular weight of 20-Oxopregnane-3,21-diyl diacetate?
The molecular weight of 20-Oxopregnane-3,21-diyl diacetate is 418.27 g/mol.
Where can I buy 20-Oxopregnane-3,21-diyl diacetate?
You can request a quote for 20-Oxopregnane-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 20-Oxopregnane-3,21-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 20-Oxopregnane-3,21-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.