![methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate structure](/static/products/5932/593245-39-7.webp)
methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate
TL;DR: methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate (CAS 593245-39-7) is a chemical compound with molecular formula C17H17BrN2O5S and molecular weight 440.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
Also Known As: methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate, methyl 4-(2-(4-bromo-N-methylphenylsulfonamido)acetamido)benzoate, methyl 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
| Molecular Formula | C17H17BrN2O5S |
|---|---|
| Molecular Weight | 440.00 g/mol |
| LogP | 2.4949 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.00415 |
| Heavy Atoms | 26 |
| Complexity | 895.75543 |
Chemical Identifiers
| CAS Number | 593245-39-7 |
|---|---|
| SMILES | CN(CC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br |
Product Overview
methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate (CAS 593245-39-7), with molecular formula C17H17BrN2O5S and molecular weight 440.00 g/mol. IUPAC: methyl 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate
Property Insights of methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate
The XLogP value of 2.4949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}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-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate?
The CAS number of methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate is 593245-39-7.
What is the molecular formula of methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate?
The molecular formula of methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate is C17H17BrN2O5S.
What is the molecular weight of methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate?
The molecular weight of methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate is 440.00 g/mol.
Where can I buy methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate?
You can request a quote for methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}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-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({N-[(4-bromophenyl)sulfonyl]-N-methylglycyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.