Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate
TL;DR: Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate (CAS 349402-52-4) is a chemical compound with molecular formula C19H21NO6S and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2,4,6-trimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
Also Known As: METHYL 5-((2,4,6-TRIMETHYLPHENYLSULFONYL)AMINO)-3-(METHOXYCARBONYL)BENZOATE, BIM-0000045.P001, dimethyl 5-[(mesitylsulfonyl)amino]isophthalate, Dimethyl 5-((2,4,6-trimethylphenyl)sulfonamido)isophthalate, 1,3-dimethyl 5-(2,4,6-trimethylbenzenesulfonamido)benzene-1,3-dicarboxylate
| Molecular Formula | C19H21NO6S |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 2.98586 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.10895 |
| Heavy Atoms | 27 |
| Complexity | 953.6002 |
Chemical Identifiers
| CAS Number | 349402-52-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C |
Product Overview
Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate (CAS 349402-52-4), with molecular formula C19H21NO6S and molecular weight 391.11 g/mol. IUPAC: dimethyl 5-[(2,4,6-trimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate
Property Insights of Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate
The XLogP value of 2.98586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate. Following Lipinski's Rule of Five, Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate has 1 hydrogen bond donor(s) and 6 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 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate?
The CAS number of Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate is 349402-52-4.
What is the molecular formula of Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate?
The molecular formula of Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate is C19H21NO6S.
What is the molecular weight of Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate?
The molecular weight of Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate is 391.11 g/mol.
Where can I buy Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate?
You can request a quote for Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-((2,4,6-trimethylphenylsulfonyl)amino)-3-(methoxycarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.