17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)
TL;DR: 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate) (CAS 56665-79-3) is a chemical compound with molecular formula C25H32O6 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [2-[(8S,10S,13S,14S,16S,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] carbonate
Also Known As: 2-(2-chloro-4-methylphenoxy)acetic acid, 17-hydroxy-16beta-methylpregna-1,4,9 -triene-3,20-dione21-, 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate), ethyl(16, A)-17-hydroxy-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-21-yl carbonate
| Molecular Formula | C25H32O6 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.21988 |
| Heavy Atoms | 31 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 56665-79-3 |
|---|---|
| SMILES | CCOC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)C)O |
| InChIKey | DADGESXUBSRHSL-ZUGRACOYSA-N |
Product Overview
17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate) (CAS 56665-79-3), with molecular formula C25H32O6 and molecular weight 428.22 g/mol. IUPAC: ethyl [2-[(8S,10S,13S,14S,16S,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] carbonate.
Chemical Property Profile of 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)
Property Insights of 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)
The XLogP value of 3.5 indicates that 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate). Following Lipinski's Rule of Five, 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate) 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 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)?
The CAS number of 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate) is 56665-79-3.
What is the molecular formula of 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)?
The molecular formula of 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate) is C25H32O6.
What is the molecular weight of 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)?
The molecular weight of 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate) is 428.22 g/mol.
Where can I buy 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)?
You can request a quote for 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.