![methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate structure](/static/products/5932/593255-87-9.webp)
methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate
TL;DR: methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate (CAS 593255-87-9) is a chemical compound with molecular formula C23H20ClFN2O5S and molecular weight 490.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate
Also Known As: methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate, methyl 4-(2-(4-chloro-N-(2-fluorobenzyl)phenylsulfonamido)acetamido)benzoate, methyl 4-[[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate
| Molecular Formula | C23H20ClFN2O5S |
|---|---|
| Molecular Weight | 490.08 g/mol |
| LogP | 4.0953 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.07654 |
| Heavy Atoms | 33 |
| Complexity | 1248.6031 |
Chemical Identifiers
| CAS Number | 593255-87-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate (CAS 593255-87-9), with molecular formula C23H20ClFN2O5S and molecular weight 490.08 g/mol. IUPAC: methyl 4-[[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate
Property Insights of methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate
The XLogP value of 4.0953 indicates that methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate 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 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate?
The CAS number of methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate is 593255-87-9.
What is the molecular formula of methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate?
The molecular formula of methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate is C23H20ClFN2O5S.
What is the molecular weight of methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate?
The molecular weight of methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate is 490.08 g/mol.
Where can I buy methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate?
You can request a quote for methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.