(11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione
TL;DR: (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione (CAS 104286-02-4) is a chemical compound with molecular formula C24H32O7 and molecular weight 432.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] carbonate
Also Known As: Prednisolone 17-Ethyl Carbonate, Pred-17-etc, Prednisolone 17-ethylcarbonate, Prednicarbate EP Impurity B, Prednicarbate Related Compound B
| Molecular Formula | C24H32O7 |
|---|---|
| Molecular Weight | 432.21 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.2148 |
| Heavy Atoms | 31 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 104286-02-4 |
|---|---|
| SMILES | CCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO |
| InChIKey | CWVNDXWCEADDCU-ZJUZSDNKSA-N |
Product Overview
(11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione (CAS 104286-02-4), with molecular formula C24H32O7 and molecular weight 432.21 g/mol. IUPAC: ethyl [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] carbonate.
Chemical Property Profile of (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione
Property Insights of (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione. Following Lipinski's Rule of Five, (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione has 2 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 (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione?
The CAS number of (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione is 104286-02-4.
What is the molecular formula of (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione?
The molecular formula of (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione is C24H32O7.
What is the molecular weight of (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione?
The molecular weight of (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione is 432.21 g/mol.
Where can I buy (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione?
You can request a quote for (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for (11beta)-17-((Ethoxycarbonyl)oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.