TL;DR: methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate (CAS 1173681-16-7) is a chemical compound with molecular formula C13H17ClN2O3S and molecular weight 316.06485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfanylbutanoate
Also Known As: methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate, (R)-methyl 2-(3-(4-chlorophenyl)ureido)-4-(methylthio)butanoate, methyl (2R)-2-[(4-chlorophenyl)carbamoylamino]-4-methylsulfanylbutanoate
| Molecular Formula | C13H17ClN2O3S |
| Molecular Weight | 316.06485 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.06485 Da |
| Heavy Atoms | 20 |
| Complexity | 323.0 |
| SMILES | COC(=O)[C@@H](CCSC)NC(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | XPWVCZFHIGRDCV-LLVKDONJSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate. Following Lipinski's Rule of Five, methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate 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 methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate is 1173681-16-7.
The molecular formula of methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate is C13H17ClN2O3S.
The molecular weight of methyl N-[(4-chlorophenyl)carbamoyl]-D-methioninate is 316.06485 g/mol.
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