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Methyl [3-fluoro(methylsulfonyl)anilino]acetate
TL;DR: Methyl [3-fluoro(methylsulfonyl)anilino]acetate (CAS 667875-58-3) is a chemical compound with molecular formula C10H12FNO4S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate
Also Known As: Methyl N-(3-fluorophenyl)-N-(methylsulfonyl)glycinate, methyl [3-fluoro(methylsulfonyl)anilino]acetate, methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate, methyl 2-[N-(3-fluorophenyl)methanesulfonamido]acetate, AO-081/41755879
| Molecular Formula | C10H12FNO4S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 0.7647 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.04712 |
| Heavy Atoms | 17 |
| Complexity | 514.7921 |
Chemical Identifiers
| CAS Number | 667875-58-3 |
|---|---|
| SMILES | COC(=O)CN(C1=CC(=CC=C1)F)S(=O)(=O)C |
Product Overview
Methyl [3-fluoro(methylsulfonyl)anilino]acetate (CAS 667875-58-3), with molecular formula C10H12FNO4S and molecular weight 261.05 g/mol. IUPAC: methyl 2-(3-fluoro-N-methylsulfonylanilino)acetate.
Chemical Property Profile of Methyl [3-fluoro(methylsulfonyl)anilino]acetate
Property Insights of Methyl [3-fluoro(methylsulfonyl)anilino]acetate
The XLogP value of 0.7647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [3-fluoro(methylsulfonyl)anilino]acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [3-fluoro(methylsulfonyl)anilino]acetate. Following Lipinski's Rule of Five, Methyl [3-fluoro(methylsulfonyl)anilino]acetate has 0 hydrogen bond donor(s) and 4 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 [3-fluoro(methylsulfonyl)anilino]acetate?
The CAS number of Methyl [3-fluoro(methylsulfonyl)anilino]acetate is 667875-58-3.
What is the molecular formula of Methyl [3-fluoro(methylsulfonyl)anilino]acetate?
The molecular formula of Methyl [3-fluoro(methylsulfonyl)anilino]acetate is C10H12FNO4S.
What is the molecular weight of Methyl [3-fluoro(methylsulfonyl)anilino]acetate?
The molecular weight of Methyl [3-fluoro(methylsulfonyl)anilino]acetate is 261.05 g/mol.
Where can I buy Methyl [3-fluoro(methylsulfonyl)anilino]acetate?
You can request a quote for Methyl [3-fluoro(methylsulfonyl)anilino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [3-fluoro(methylsulfonyl)anilino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [3-fluoro(methylsulfonyl)anilino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.