9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
TL;DR: 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate (CAS 38680-83-0) is a chemical compound with molecular formula C23H28O6 and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl)-2-oxoethyl] acetate
Also Known As: 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate, 9beta,11beta-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione21-acetate, 9?,11?-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate;(9beta,11beta)-17-hydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate;9?,11?-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate;9?,11?-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate (9beta,11beta)-17-hydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate 9?,11?-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate, na
| Molecular Formula | C23H28O6 |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 2.2889 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.1886 |
| Heavy Atoms | 29 |
| Complexity | 887.79895 |
Chemical Identifiers
| CAS Number | 38680-83-0 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC3C4(C2CCC5=CC(=O)C=CC54C)O3)C)O |
Product Overview
9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate (CAS 38680-83-0), with molecular formula C23H28O6 and molecular weight 400.19 g/mol. IUPAC: [2-(14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl)-2-oxoethyl] acetate.
Chemical Property Profile of 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
Property Insights of 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
The XLogP value of 2.2889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate. Following Lipinski's Rule of Five, 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate has 1 hydrogen bond donor(s) and 6 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 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate?
The CAS number of 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate is 38680-83-0.
What is the molecular formula of 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate?
The molecular formula of 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate is C23H28O6.
What is the molecular weight of 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate?
The molecular weight of 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate is 400.19 g/mol.
Where can I buy 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate?
You can request a quote for 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate?
Yes, KEHONG BIO provides custom synthesis services for 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.