Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate
TL;DR: Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate (CAS 899101-64-5) is a chemical compound with molecular formula C14H15N3O3S2 and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4,5-dimethyl-2-(2-(pyrimidin-2-ylthio)acetamido)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-{[(pyrimidin-2-ylsulfanyl)acetyl]amino}thiophene-3-carboxylate
| Molecular Formula | C14H15N3O3S2 |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 2.67234 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.05548 |
| Heavy Atoms | 22 |
| Complexity | 686.14154 |
Chemical Identifiers
| CAS Number | 899101-64-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=CC=N2)C |
Product Overview
Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate (CAS 899101-64-5), with molecular formula C14H15N3O3S2 and molecular weight 337.06 g/mol. IUPAC: methyl 4,5-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate
Property Insights of Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate
The XLogP value of 2.67234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)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-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)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-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate?
The CAS number of Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate is 899101-64-5.
What is the molecular formula of Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate?
The molecular formula of Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate is C14H15N3O3S2.
What is the molecular weight of Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate?
The molecular weight of Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate is 337.06 g/mol.
Where can I buy Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate?
You can request a quote for Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)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-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethyl-2-(2-pyrimidin-2-ylthioacetylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.