TL;DR: IDI1_022985 (CAS 132038-98-3) is a chemical compound with molecular formula C18H25N9O2S and molecular weight 431.18518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
Also Known As: IDI1_022985, BAS 01258411, AB00568317-06, AE-848/32061023, BRD-K57049149-001-01-4
| Molecular Formula | C18H25N9O2S |
| Molecular Weight | 431.18518 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.18518 Da |
| Heavy Atoms | 30 |
| Complexity | 610.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=NC(=N2)NC(C)C)NC(C)C)N3C=NN=C3 |
| InChIKey | STLDQGAXAZXNGU-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that IDI1_022985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_022985. Following Lipinski's Rule of Five, IDI1_022985 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of IDI1_022985 is 132038-98-3.
The molecular formula of IDI1_022985 is C18H25N9O2S.
The molecular weight of IDI1_022985 is 431.18518 g/mol.
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