![methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate structure](/static/products/7067/706766-72-5.webp)
methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate
TL;DR: methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate (CAS 706766-72-5) is a chemical compound with molecular formula C18H19FN2O5S and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
Also Known As: CBKinase1_006341, CBKinase1_018741, BRD-K09219667-001-01-4, methyl 3-(2-(N-(4-fluorophenyl)methylsulfonamido)acetamido)-2-methylbenzoate, methyl 3-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
| Molecular Formula | C18H19FN2O5S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 2.32542 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.09988 |
| Heavy Atoms | 27 |
| Complexity | 958.21735 |
Chemical Identifiers
| CAS Number | 706766-72-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C)C(=O)OC |
Product Overview
methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate (CAS 706766-72-5), with molecular formula C18H19FN2O5S and molecular weight 394.10 g/mol. IUPAC: methyl 3-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate.
Chemical Property Profile of methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate
Property Insights of methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate
The XLogP value of 2.32542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate. Following Lipinski's Rule of Five, methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate has 1 hydrogen bond donor(s) and 5 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-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate?
The CAS number of methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate is 706766-72-5.
What is the molecular formula of methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate?
The molecular formula of methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate is C18H19FN2O5S.
What is the molecular weight of methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate?
The molecular weight of methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate is 394.10 g/mol.
Where can I buy methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate?
You can request a quote for methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[N-(4-fluorophenyl)-N-(methylsulfonyl)glycyl]amino}-2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.