TL;DR: CBKinase1_003832 (CAS 524056-69-7) is a chemical compound with molecular formula C20H20N6OS2 and molecular weight 424.114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-N-(2,3-dimethylphenyl)-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
Also Known As: CBKinase1_003832, CBKinase1_016232, BRD-K29636876-001-01-2, N2-(2,3-dimethylphenyl)-6-(((5-methoxybenzo[d]thiazol-2-yl)thio)methyl)-1,3,5-triazine-2,4-diamine, 2-N-(2,3-dimethylphenyl)-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
| Molecular Formula | C20H20N6OS2 |
| Molecular Weight | 424.114 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.114 Da |
| Heavy Atoms | 29 |
| Complexity | 531.0 |
| SMILES | CC1=C(C(=CC=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=C(S3)C=CC(=C4)OC)C |
| InChIKey | LBYQKMUAJZKUEV-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that CBKinase1_003832 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting CBKinase1_003832 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CBKinase1_003832 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of CBKinase1_003832 is 524056-69-7.
The molecular formula of CBKinase1_003832 is C20H20N6OS2.
The molecular weight of CBKinase1_003832 is 424.114 g/mol.
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