![Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate structure](/static/products/827/827010-46-8.png)
Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate (CAS 827010-46-8) is a chemical compound with molecular formula C19H19NO7S and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2-tosylacetamido)isophthalate, dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C19H19NO7S |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 1.98062 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.08823 |
| Heavy Atoms | 28 |
| Complexity | 976.8277 |
Chemical Identifiers
| CAS Number | 827010-46-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate (CAS 827010-46-8), with molecular formula C19H19NO7S and molecular weight 405.09 g/mol. IUPAC: dimethyl 5-[[2-(4-methylphenyl)sulfonylacetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate
The XLogP value of 1.98062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate is 827010-46-8.
What is the molecular formula of Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate is C19H19NO7S.
What is the molecular weight of Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate is 405.09 g/mol.
Where can I buy Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-({[(4-methylphenyl)sulfonyl]acetyl}amino)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.