![methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate structure](/static/products/3334/333458-93-8.webp)
methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
TL;DR: methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate (CAS 333458-93-8) 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 2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]benzoate
Also Known As: BAS 02203997, methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate, Methyl 2-[[2-[(3-bromophenyl)(methylsulfonyl)amino]acetyl]amino]benzoate, methyl 2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]benzoate, methyl 2-({[3-bromo(methylsulfonyl)anilino]acetyl}amino)benzoate
| Molecular Formula | C17H17BrN2O5S |
|---|---|
| Molecular Weight | 440.00 g/mol |
| LogP | 2.6404 |
| 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 | 930.25543 |
Chemical Identifiers
| CAS Number | 333458-93-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C |
Product Overview
methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate (CAS 333458-93-8), with molecular formula C17H17BrN2O5S and molecular weight 440.00 g/mol. IUPAC: methyl 2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
Property Insights of methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
The XLogP value of 2.6404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)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 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
The CAS number of methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate is 333458-93-8.
What is the molecular formula of methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
The molecular formula of methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate is C17H17BrN2O5S.
What is the molecular weight of methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
The molecular weight of methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate is 440.00 g/mol.
Where can I buy methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
You can request a quote for methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)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 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.