TL;DR: 2H-309S (CAS 1164104-14-6) is a chemical compound with molecular formula C14H19ClN2O5S2 and molecular weight 394.0424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]-4-methylsulfanylbutanoate
Also Known As: 2H-309S, methyl 2-[(2-{[(4-chlorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate, methyl 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]-4-methylsulfanylbutanoate, methyl 2-[2-(4-chlorobenzenesulfonamido)acetamido]-4-(methylsulfanyl)butanoate
| Molecular Formula | C14H19ClN2O5S2 |
| Molecular Weight | 394.0424 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 394.0424 Da |
| Heavy Atoms | 24 |
| Complexity | 516.0 |
| SMILES | COC(=O)C(CCSC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)Cl |
| InChIKey | MKAXKSIQHRBZIE-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-309S. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-309S. Following Lipinski's Rule of Five, 2H-309S has 2 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 2H-309S is 1164104-14-6.
The molecular formula of 2H-309S is C14H19ClN2O5S2.
The molecular weight of 2H-309S is 394.0424 g/mol.
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