methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
TL;DR: methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate (CAS 891456-96-5) is a chemical compound with molecular formula C15H17N3O3S2 and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[2-(4-methylpyrimidin-2-ylthio)acetylamino]thiophene-3-c arboxylate, methyl 4,5-dimethyl-2-({[(4-methylpyrimidin-2-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
| Molecular Formula | C15H17N3O3S2 |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 2.98076 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.07114 |
| Heavy Atoms | 23 |
| Complexity | 743.5635 |
Chemical Identifiers
| CAS Number | 891456-96-5 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC |
Product Overview
methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate (CAS 891456-96-5), with molecular formula C15H17N3O3S2 and molecular weight 351.07 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
Property Insights of methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
The XLogP value of 2.98076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate 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 methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
The CAS number of methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate is 891456-96-5.
What is the molecular formula of methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular formula of methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate is C15H17N3O3S2.
What is the molecular weight of methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
The molecular weight of methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate is 351.07 g/mol.
Where can I buy methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
You can request a quote for methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-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 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4,5-dimethyl-2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.