![methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate structure](/static/products/7019/701931-47-7.webp)
methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 701931-47-7) is a chemical compound with molecular formula C23H26N6O7S3 and molecular weight 594.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-(3-(4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)thioureido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C23H26N6O7S3 |
|---|---|
| Molecular Weight | 594.10 g/mol |
| LogP | 2.96182 |
| Topological Polar Surface Area | 161.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 594.10254 |
| Heavy Atoms | 39 |
| Complexity | 1482.8439 |
Chemical Identifiers
| CAS Number | 701931-47-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)C(=O)N(C)C |
Product Overview
methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 701931-47-7), with molecular formula C23H26N6O7S3 and molecular weight 594.10 g/mol. IUPAC: methyl 2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 2.96182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate. The TPSA of 161.08 Ų indicates high polarity, suggesting methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is 701931-47-7.
What is the molecular formula of methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is C23H26N6O7S3.
What is the molecular weight of methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is 594.10 g/mol.
Where can I buy methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thio xomethyl}amino)-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.