AEF2Q624EL
TL;DR: AEF2Q624EL (CAS 157231-19-1) is a chemical compound with molecular formula C26H29NO5S and molecular weight 467.17664 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxymethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: Estradiol 3-saccharinylmethyl ether, 2-(((17beta-Hydroxyestra-1,3,5(10)-trien-3-yl)oxy)methyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, 1,2-Benzisothiazol-3(2H)-one, 2-((((17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl)oxy)methyl)-, 1,1-dioxide, 2-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxymethyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-({[17beta-Hydroxyestra-1(10),2,4-trien-3-yl]oxy}methyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Technical Specifications
| Molecular Formula | C26H29NO5S |
| Molecular Weight | 467.17664 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.17664 Da |
| Heavy Atoms | 33 |
| Complexity | 886.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OCN5C(=O)C6=CC=CC=C6S5(=O)=O |
| InChIKey | QNUCLUWOICXPIY-QETBJLDASA-N |
Chemical Property Profile of AEF2Q624EL
Property Insights of AEF2Q624EL
The XLogP value of 3.5 indicates that AEF2Q624EL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AEF2Q624EL. Following Lipinski's Rule of Five, AEF2Q624EL has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AEF2Q624EL?
The CAS number of AEF2Q624EL is 157231-19-1.
What is the molecular formula of AEF2Q624EL?
The molecular formula of AEF2Q624EL is C26H29NO5S.
What is the molecular weight of AEF2Q624EL?
The molecular weight of AEF2Q624EL is 467.17664 g/mol.
Where can I buy AEF2Q624EL?
You can request a quote for AEF2Q624EL directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AEF2Q624EL?
Yes, CoreyChem provides custom synthesis services for AEF2Q624EL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.