amino}acetate structure](/static/products/5734/5734-58-7.webp)
Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate
TL;DR: Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate (CAS 5734-58-7) is a chemical compound with molecular formula C16H16FNO4S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate
Also Known As: CBKinase1_000888, CBKinase1_013288, BAS 00884668, BIM-0029849.P001, methyl 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate
| Molecular Formula | C16H16FNO4S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.0784 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 5734-58-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)F |
| InChIKey | WDCLZLYBBCDSEW-UHFFFAOYSA-N |
Product Overview
Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate (CAS 5734-58-7), with molecular formula C16H16FNO4S and molecular weight 337.08 g/mol. IUPAC: methyl 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetate.
Chemical Property Profile of Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate
Property Insights of Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate
The XLogP value of 3.0 indicates that Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate. Following Lipinski's Rule of Five, Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate has 0 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-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate?
The CAS number of Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate is 5734-58-7.
What is the molecular formula of Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate?
The molecular formula of Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate is C16H16FNO4S.
What is the molecular weight of Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate?
The molecular weight of Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate is 337.08 g/mol.
Where can I buy Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate?
You can request a quote for Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.