TL;DR: ({[(2-Chlorobenzyl)(2-furylmethyl)amino]-carbonothioyl}amino)acetic acid (CAS 1217617-24-7) is a chemical compound with molecular formula C15H15ClN2O3S and molecular weight 338.0492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2-chlorophenyl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]acetic acid
Also Known As: ({[(2-Chlorobenzyl)(2-furylmethyl)amino]-carbonothioyl}amino)acetic acid, 7520AE, 2-(3-(2-Chlorobenzyl)-3-(furan-2-ylmethyl)thioureido)acetic acid, 3-(4-fluoro-benzylamino)-propionic acid ethyl ester, 2-[[(2-chlorophenyl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]acetic acid
| Molecular Formula | C15H15ClN2O3S |
| Molecular Weight | 338.0492 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 97.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.0492 Da |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
| SMILES | C1=CC=C(C(=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)O)Cl |
| InChIKey | CASBRYWQTUTDNJ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({[(2-Chlorobenzyl)(2-furylmethyl)amino]-carbonothioyl}amino)acetic acid. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ({[(2-Chlorobenzyl)(2-furylmethyl)amino]-carbonothioyl}amino)acetic acid. Following Lipinski's Rule of Five, ({[(2-Chlorobenzyl)(2-furylmethyl)amino]-carbonothioyl}amino)acetic acid has 2 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 ({[(2-Chlorobenzyl)(2-furylmethyl)amino]-carbonothioyl}amino)acetic acid is 1217617-24-7.
The molecular formula of ({[(2-Chlorobenzyl)(2-furylmethyl)amino]-carbonothioyl}amino)acetic acid is C15H15ClN2O3S.
The molecular weight of ({[(2-Chlorobenzyl)(2-furylmethyl)amino]-carbonothioyl}amino)acetic acid is 338.0492 g/mol.
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