Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol
TL;DR: Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol (CAS 119252-96-9) is a chemical compound with molecular formula C32H31ClN4O2 and molecular weight 538.21356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,9S,13S,14S,17S)-3-[[4-chloro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-yl]oxy]-17-ethynyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-ol
Also Known As: Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol, 19-Norpregna-1,3,5(10)-trien-20-ynol, 3(or 17)-((4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)oxy)-, (17alpha)-, (8S,9S,13R,14S,17R)-3-[[4-chloro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-yl]oxy]-17-ethynyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-ol, (8S,9S,13S,14S,17S)-3-[[4-chloro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-yl]oxy]-17-ethynyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-ol, 3-{[4-Chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl]oxy}-17alpha-19-norpregna-1(10),2,4-trien-20-yn-2-ol
Technical Specifications
| Molecular Formula | C32H31ClN4O2 |
| Molecular Weight | 538.21356 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 538.21356 Da |
| Heavy Atoms | 39 |
| Complexity | 958.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2C#C)CCC4=CC(=C(C=C34)O)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)Cl |
| InChIKey | ZMQJZDSZZYIXHC-NUFABLDKSA-N |
Chemical Property Profile of Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol
Property Insights of Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol
The XLogP value of 8.0 indicates that Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol. Following Lipinski's Rule of Five, Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol?
The CAS number of Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol is 119252-96-9.
What is the molecular formula of Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol?
The molecular formula of Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol is C32H31ClN4O2.
What is the molecular weight of Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol?
The molecular weight of Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol is 538.21356 g/mol.
Where can I buy Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol?
You can request a quote for Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol?
Yes, CoreyChem provides custom synthesis services for Ethinylestradiol monoether with 4-chloro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.