![methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate structure](/static/products/1397/1397007-12-3.webp)
methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate
TL;DR: methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate (CAS 1397007-12-3) is a chemical compound with molecular formula C14H19FN2O5S2 and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-4-methylsulfanylbutanoate
Also Known As: methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate, methyl 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-4-methylsulfanylbutanoate, methyl 2-[2-(4-fluorobenzenesulfonamido)acetamido]-4-(methylsulfanyl)butanoate, methyl2-[2-(4-fluorobenzenesulfonamido)acetamido]-4-(methylsulfanyl)butanoate
| Molecular Formula | C14H19FN2O5S2 |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 0.5149 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 378.07193 |
| Heavy Atoms | 24 |
| Complexity | 664.2473 |
Chemical Identifiers
| CAS Number | 1397007-12-3 |
|---|---|
| SMILES | COC(=O)C(CCSC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)F |
Product Overview
methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate (CAS 1397007-12-3), with molecular formula C14H19FN2O5S2 and molecular weight 378.07 g/mol. IUPAC: methyl 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-4-methylsulfanylbutanoate.
Chemical Property Profile of methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate
Property Insights of methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate
The XLogP value of 0.5149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate. Following Lipinski's Rule of Five, methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate?
The CAS number of methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate is 1397007-12-3.
What is the molecular formula of methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate?
The molecular formula of methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate is C14H19FN2O5S2.
What is the molecular weight of methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate?
The molecular weight of methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate is 378.07 g/mol.
Where can I buy methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate?
You can request a quote for methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(2-{[(4-fluorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.