TL;DR: BAS 00345157 (CAS 1351391-44-0) is a chemical compound with molecular formula C14H20N4O3 and molecular weight 292.15353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]urea
Also Known As: BAS 00345157, BIM-0022400.P001, [(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]urea, 1-semicarbazono-3,3-dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, 6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinone semicarbazone
| Molecular Formula | C14H20N4O3 |
| Molecular Weight | 292.15353 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.15353 Da |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
| SMILES | CC1(CC2=CC(=C(C=C2C(=N1)NNC(=O)N)OC)OC)C |
| InChIKey | ZECXVVPFSQLHAO-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00345157. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00345157. Following Lipinski's Rule of Five, BAS 00345157 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 00345157 is 1351391-44-0.
The molecular formula of BAS 00345157 is C14H20N4O3.
The molecular weight of BAS 00345157 is 292.15353 g/mol.
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