![methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate structure](/static/products/5932/593264-06-3.webp)
methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate
TL;DR: methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate (CAS 593264-06-3) is a chemical compound with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]benzoate
Also Known As: methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate, AO-081/41684457, methyl 4-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]benzoate, methyl 4-(2-(N-benzylmethylsulfonamido)acetamido)benzoate, methyl 4-({[benzyl(methylsulfonyl)amino]acetyl}amino)benzoate
| Molecular Formula | C18H20N2O5S |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 1.8735 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.10928 |
| Heavy Atoms | 26 |
| Complexity | 864.2143 |
Chemical Identifiers
| CAS Number | 593264-06-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C |
Product Overview
methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate (CAS 593264-06-3), with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol. IUPAC: methyl 4-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate
Property Insights of methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate
The XLogP value of 1.8735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[N-benzyl-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 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate?
The CAS number of methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate is 593264-06-3.
What is the molecular formula of methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate?
The molecular formula of methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate is C18H20N2O5S.
What is the molecular weight of methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate?
The molecular weight of methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate is 376.11 g/mol.
Where can I buy methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate?
You can request a quote for methyl 4-{[N-benzyl-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 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[N-benzyl-N-(methylsulfonyl)glycyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.