TL;DR: 4-((7-Chloroquinazolin-4-yl)amino)butanoic acid (CAS 165954-02-9) is a chemical compound with molecular formula C12H12ClN3O2 and molecular weight 265.0618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(7-chloroquinazolin-4-yl)amino]butanoic acid
Also Known As: 4-((7-Chloroquinazolin-4-yl)amino)butanoic acid, 4-[(7-chloroquinazolin-4-yl)amino]butanoic Acid, 4-(7-Chloro-quinazolin-4-ylamino)-butyric acid, 4-((7-Chloroquinazolin-4-yl)amino)butanoicacid
| Molecular Formula | C12H12ClN3O2 |
| Molecular Weight | 265.0618 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 75.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.0618 Da |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| SMILES | C1=CC2=C(C=C1Cl)N=CN=C2NCCCC(=O)O |
| InChIKey | YMYCULVSFLOAHI-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((7-Chloroquinazolin-4-yl)amino)butanoic acid. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((7-Chloroquinazolin-4-yl)amino)butanoic acid. Following Lipinski's Rule of Five, 4-((7-Chloroquinazolin-4-yl)amino)butanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-((7-Chloroquinazolin-4-yl)amino)butanoic acid is 165954-02-9.
The molecular formula of 4-((7-Chloroquinazolin-4-yl)amino)butanoic acid is C12H12ClN3O2.
The molecular weight of 4-((7-Chloroquinazolin-4-yl)amino)butanoic acid is 265.0618 g/mol.
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