ione
TL;DR: ione (CAS 1025235-98-6) is a chemical compound with molecular formula C34H28F4N6O3 and molecular weight 644.2159 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[(7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
Also Known As: ione, 1-{2-[7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione, 3-[2-[(7E)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione, 1-(2-{3-(4-METHYLPHENYL)-7-[(E)-1-(4-METHYLPHENYL)METHYLIDENE]-3,3A,4,5,6,7-HEXAHYDRO-2H-INDAZOL-2-YL}-2-OXOETHYL)-5-(2,3,5,6-TETRAFLUOROPHENYL)-3A,6A-DIHYDROPYRROLO[3,4-D][1,2,3]TRIAZOLE-4,6(1H,5H)-D
Technical Specifications
| Molecular Formula | C34H28F4N6O3 |
| Molecular Weight | 644.2159 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 644.2159 Da |
| Heavy Atoms | 47 |
| Complexity | 1330.0 |
| SMILES | CC1=CC=C(C=C1)/C=C/2\CCCC3C2=NN(C3C4=CC=C(C=C4)C)C(=O)CN5C6C(C(=O)N(C6=O)C7=C(C(=CC(=C7F)F)F)F)N=N5 |
| InChIKey | UQJSJPUSMCIRBI-KGENOOAVSA-N |
Chemical Property Profile of ione
Property Insights of ione
The XLogP value of 6.6 indicates that ione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ione. Following Lipinski's Rule of Five, ione has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ione?
The CAS number of ione is 1025235-98-6.
What is the molecular formula of ione?
The molecular formula of ione is C34H28F4N6O3.
What is the molecular weight of ione?
The molecular weight of ione is 644.2159 g/mol.
Where can I buy ione?
You can request a quote for ione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ione?
Yes, CoreyChem provides custom synthesis services for ione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.