AC1L5W8M
4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid
Also Known As: 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid|4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid|4-{3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}-2-methylbenzene-1-sulfonic acid|4-(3-(4-(4,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)-2-methylbenzenesulfonic acid|4-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)-2-methylbenzenesulfonic acid|4-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)-2-methylbenzenesulfonicacid|4-
| Molecular Formula | C21H26N6O4S |
|---|---|
| Molecular Weight | 458.1736 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1736 |
| Monoisotopic Mass | 458.1736 |
| Heavy Atoms | 32 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 2848-47-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)O |
| InChIKey | MXXVMXXYLWZDMO-UHFFFAOYSA-N |
Product Overview
AC1L5W8M (CAS 2848-47-7), with molecular formula C21H26N6O4S and molecular weight 458.1736 g/mol. IUPAC: 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid.
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