20-Oxopregn-16-ene-2,3-diyl diacetate
TL;DR: 20-Oxopregn-16-ene-2,3-diyl diacetate (CAS 28404-72-0) is a chemical compound with molecular formula C25H36O5 and molecular weight 416.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-2-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Also Known As: 20-Oxopregn-16-ene-2,3-diyl diacetate, (17-acetyl-2-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
| Molecular Formula | C25H36O5 |
|---|---|
| Molecular Weight | 416.26 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.2563 |
| Heavy Atoms | 30 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 28404-72-0 |
|---|---|
| SMILES | CC(=O)C1=CCC2C1(CCC3C2CCC4C3(CC(C(C4)OC(=O)C)OC(=O)C)C)C |
| InChIKey | BHNNWIQUSMSMMR-UHFFFAOYSA-N |
Product Overview
20-Oxopregn-16-ene-2,3-diyl diacetate (CAS 28404-72-0), with molecular formula C25H36O5 and molecular weight 416.26 g/mol. IUPAC: (17-acetyl-2-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate.
Chemical Property Profile of 20-Oxopregn-16-ene-2,3-diyl diacetate
Property Insights of 20-Oxopregn-16-ene-2,3-diyl diacetate
The XLogP value of 4.9 indicates that 20-Oxopregn-16-ene-2,3-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-Oxopregn-16-ene-2,3-diyl diacetate. Following Lipinski's Rule of Five, 20-Oxopregn-16-ene-2,3-diyl diacetate has 0 hydrogen bond donor(s) and 5 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 20-Oxopregn-16-ene-2,3-diyl diacetate?
The CAS number of 20-Oxopregn-16-ene-2,3-diyl diacetate is 28404-72-0.
What is the molecular formula of 20-Oxopregn-16-ene-2,3-diyl diacetate?
The molecular formula of 20-Oxopregn-16-ene-2,3-diyl diacetate is C25H36O5.
What is the molecular weight of 20-Oxopregn-16-ene-2,3-diyl diacetate?
The molecular weight of 20-Oxopregn-16-ene-2,3-diyl diacetate is 416.26 g/mol.
Where can I buy 20-Oxopregn-16-ene-2,3-diyl diacetate?
You can request a quote for 20-Oxopregn-16-ene-2,3-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-Oxopregn-16-ene-2,3-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 20-Oxopregn-16-ene-2,3-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.