3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate
TL;DR: 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate (CAS 22360-68-5) is a chemical compound with molecular formula C23H30O5 and molecular weight 386.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(7,11-dimethyl-14-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl)-2-oxoethyl] acetate
Also Known As: 16,17-Epoxydeoxycorticosterone acetate, 3,20-dioxo-16,17-epoxypregn-4-en-21-yl acetate, [2-(7,11-dimethyl-14-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl)-2-oxo-ethyl] acetate, [2-(7,11-dimethyl-14-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl)-2-oxoethyl] acetate, 2-{7,11-DIMETHYL-14-OXO-5-OXAPENTACYCLO[8.8.0.0(2),?.0?,?.0(1)(1),(1)?]OCTADEC-15-EN-6-YL}-2-OXOETHYL ACETATE
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 22360-68-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C |
| InChIKey | QZHWBQCNOKNTPO-UHFFFAOYSA-N |
Product Overview
3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate (CAS 22360-68-5), with molecular formula C23H30O5 and molecular weight 386.21 g/mol. IUPAC: [2-(7,11-dimethyl-14-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate
Property Insights of 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate. Following Lipinski's Rule of Five, 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate 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 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate?
The CAS number of 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate is 22360-68-5.
What is the molecular formula of 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate?
The molecular formula of 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate is C23H30O5.
What is the molecular weight of 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate?
The molecular weight of 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate is 386.21 g/mol.
Where can I buy 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate?
You can request a quote for 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,20-Dioxo-16,17-epoxypregn-4-en-21-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.