TL;DR: 1,3,5-TRIAZINE-2,4-DIAMINE,1-[4-[4-(2,4-DICHLOROPHENYL)BUTYL]PHENYL]-1,6-DIHYDRO-6,6-DIMETHYL-,HYDROCHLORIDE (1:1) (CAS 15986-25-1) is a chemical compound with molecular formula C21H26Cl3N5 and molecular weight 453.12537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
Also Known As: 1,3,5-TRIAZINE-2,4-DIAMINE,1-[4-[4-(2,4-DICHLOROPHENYL)BUTYL]PHENYL]-1,6-DIHYDRO-6,6-DIMETHYL-,HYDROCHLORIDE (1:1), 1-[4-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride, 1-[4-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride, 1-{4-[4-(2,4-Dichlorophenyl)butyl]phenyl}-6,6-dimethyl-1,3,5-triazinane-2,4-diimine--hydrogen chloride (1/1), s-Triazine,6-diamino-1-[p-[4-(2,4-dichlorophenyl)butyl]phenyl]-1,2-dihydro-2,2-dimethyl-, monohydrochloride
| Molecular Formula | C21H26Cl3N5 |
| Molecular Weight | 453.12537 g/mol |
| XLogP | 5.1661 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.12537 Da |
| Heavy Atoms | 29 |
| Complexity | 583.0 |
| SMILES | CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)Cl)N)N)C.Cl |
| InChIKey | ZNKIWQHTKCGLGS-UHFFFAOYSA-N |
The XLogP value of 5.1661 indicates that 1,3,5-TRIAZINE-2,4-DIAMINE,1-[4-[4-(2,4-DICHLOROPHENYL)BUTYL]PHENYL]-1,6-DIHYDRO-6,6-DIMETHYL-,HYDROCHLORIDE (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-TRIAZINE-2,4-DIAMINE,1-[4-[4-(2,4-DICHLOROPHENYL)BUTYL]PHENYL]-1,6-DIHYDRO-6,6-DIMETHYL-,HYDROCHLORIDE (1:1). Following Lipinski's Rule of Five, 1,3,5-TRIAZINE-2,4-DIAMINE,1-[4-[4-(2,4-DICHLOROPHENYL)BUTYL]PHENYL]-1,6-DIHYDRO-6,6-DIMETHYL-,HYDROCHLORIDE (1:1) has 3 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3,5-TRIAZINE-2,4-DIAMINE,1-[4-[4-(2,4-DICHLOROPHENYL)BUTYL]PHENYL]-1,6-DIHYDRO-6,6-DIMETHYL-,HYDROCHLORIDE (1:1) is 15986-25-1.
The molecular formula of 1,3,5-TRIAZINE-2,4-DIAMINE,1-[4-[4-(2,4-DICHLOROPHENYL)BUTYL]PHENYL]-1,6-DIHYDRO-6,6-DIMETHYL-,HYDROCHLORIDE (1:1) is C21H26Cl3N5.
The molecular weight of 1,3,5-TRIAZINE-2,4-DIAMINE,1-[4-[4-(2,4-DICHLOROPHENYL)BUTYL]PHENYL]-1,6-DIHYDRO-6,6-DIMETHYL-,HYDROCHLORIDE (1:1) is 453.12537 g/mol.
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