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Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate
TL;DR: Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate (CAS 1396966-21-4) is a chemical compound with molecular formula C12H16ClNO4S2 and molecular weight 337.02094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
Also Known As: methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate, 6M-516S, methyl 2-(4-chlorobenzenesulfonamido)-4-(methylsulfanyl)butanoate, methyl N-[(4-chlorophenyl)sulfonyl]methioninate, Methyl N-(4-chlorobenzene-1-sulfonyl)methioninate
Technical Specifications
| Molecular Formula | C12H16ClNO4S2 |
| Molecular Weight | 337.02094 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.02094 Da |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
| SMILES | COC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)Cl |
| InChIKey | FWDUESJTQMCLFW-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate
Property Insights of Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate. Following Lipinski's Rule of Five, Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate?
The CAS number of Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate is 1396966-21-4.
What is the molecular formula of Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate?
The molecular formula of Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate is C12H16ClNO4S2.
What is the molecular weight of Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate?
The molecular weight of Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate is 337.02094 g/mol.
Where can I buy Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate?
You can request a quote for Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.