TL;DR: BRD-A08926981-001-01-6 (CAS 1037168-55-0) is a chemical compound with molecular formula C24H24N4O4S and molecular weight 464.15182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[2-[3-(benzylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate
Also Known As: BRD-A08926981-001-01-6, K279-0602, F6548-3673, ethyl 2-({2-[2-(benzylcarbamoyl)ethyl]-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetate, ethyl 2-[[2-[3-(benzylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate
| Molecular Formula | C24H24N4O4S |
| Molecular Weight | 464.15182 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 464.15182 Da |
| Heavy Atoms | 33 |
| Complexity | 808.0 |
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CCC(=O)NCC4=CC=CC=C4 |
| InChIKey | FIUZEZFXKXWIRV-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-A08926981-001-01-6. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A08926981-001-01-6. Following Lipinski's Rule of Five, BRD-A08926981-001-01-6 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BRD-A08926981-001-01-6 is 1037168-55-0.
The molecular formula of BRD-A08926981-001-01-6 is C24H24N4O4S.
The molecular weight of BRD-A08926981-001-01-6 is 464.15182 g/mol.
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