![methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate structure](/static/products/4462/446276-11-5.webp)
methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate
TL;DR: methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate (CAS 446276-11-5) is a chemical compound with molecular formula C11H7N3O4S and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-cyano-2,4-dioxopyrimidin-1-yl)thiophene-2-carboxylate
Also Known As: methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate, methyl 3-(5-cyano-2,4-dioxopyrimidin-1-yl)thiophene-2-carboxylate, 11E-961, methylcyanodioxodihydropyrimidinylthiophenecarboxylate, methyl 3-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)thiophene-2-carboxylate
| Molecular Formula | C11H7N3O4S |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 0.24558 |
| Topological Polar Surface Area | 104.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.01572 |
| Heavy Atoms | 19 |
| Complexity | 793.24725 |
Chemical Identifiers
| CAS Number | 446276-11-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C=C(C(=O)NC2=O)C#N |
Product Overview
methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate (CAS 446276-11-5), with molecular formula C11H7N3O4S and molecular weight 277.02 g/mol. IUPAC: methyl 3-(5-cyano-2,4-dioxopyrimidin-1-yl)thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate
Property Insights of methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate
The XLogP value of 0.24558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate. The TPSA of 104.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate 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 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate?
The CAS number of methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate is 446276-11-5.
What is the molecular formula of methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate?
The molecular formula of methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate is C11H7N3O4S.
What is the molecular weight of methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate?
The molecular weight of methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate is 277.02 g/mol.
Where can I buy methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate?
You can request a quote for methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.