J1.613.089C
TL;DR: J1.613.089C (CAS 26235-11-0) is a chemical compound with molecular formula C10H10Cl3N7 and molecular weight 333.00632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-(2-cyanoethylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Also Known As: J1.613.089C, 3-[[4-(2-cyanoethylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile, 3,3'-((6-(TRICHLOROMETHYL)-S-TRIAZINE-2,4-DI*)), 3,3 -[[6-(Trichloromethyl)-s-triazine-2,4-diyl]bisimino]bispropionitrile, 3,3'-{[6-(Trichloromethyl)-1,3,5-triazine-2,4-diyl]bis(azanediyl)}dipropanenitrile
Technical Specifications
| Molecular Formula | C10H10Cl3N7 |
| Molecular Weight | 333.00632 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.00632 Da |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
| SMILES | C(CNC1=NC(=NC(=N1)C(Cl)(Cl)Cl)NCCC#N)C#N |
| InChIKey | IMMNUFIYWRVHJX-UHFFFAOYSA-N |
Chemical Property Profile of J1.613.089C
Property Insights of J1.613.089C
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.613.089C. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.613.089C. Following Lipinski's Rule of Five, J1.613.089C 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
What is the CAS number of J1.613.089C?
The CAS number of J1.613.089C is 26235-11-0.
What is the molecular formula of J1.613.089C?
The molecular formula of J1.613.089C is C10H10Cl3N7.
What is the molecular weight of J1.613.089C?
The molecular weight of J1.613.089C is 333.00632 g/mol.
Where can I buy J1.613.089C?
You can request a quote for J1.613.089C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J1.613.089C?
Yes, CoreyChem provides custom synthesis services for J1.613.089C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.