TL;DR: J1.611.747A (CAS 24863-54-5) is a chemical compound with molecular formula C14H20Cl3N5 and molecular weight 363.07843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[butan-2-yl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Also Known As: J1.611.747A, 3-(SEC-BUTYL(4-PROPYL-6-(TRICHLOROMETHYL)-S-*)), 3-[butan-2-yl-[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile, 3-[(butan-2-yl)[4-propyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile, 3-[sec-Butyl[4-propyl-6-(trichloromethyl)-s-triazine-2-yl]amino]propionitrile
| Molecular Formula | C14H20Cl3N5 |
| Molecular Weight | 363.07843 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.07843 Da |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
| SMILES | CCCC1=NC(=NC(=N1)N(CCC#N)C(C)CC)C(Cl)(Cl)Cl |
| InChIKey | UGZFESLBFCQWDV-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that J1.611.747A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.611.747A. Following Lipinski's Rule of Five, J1.611.747A has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of J1.611.747A is 24863-54-5.
The molecular formula of J1.611.747A is C14H20Cl3N5.
The molecular weight of J1.611.747A is 363.07843 g/mol.
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