![methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate structure](/static/products/3387/338750-51-9.webp)
methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate
TL;DR: methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate (CAS 338750-51-9) 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 2-(5-cyano-2,4-dioxopyrimidin-1-yl)thiophene-3-carboxylate
Also Known As: methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate, 4N-825, methyl 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)thiophene-3-carboxylate, methyl 2-(5-cyano-2,4-dioxopyrimidin-1-yl)thiophene-3-carboxylate, methyl 2-(5-cyano-2,4-dioxo-pyrimidin-1-yl)thiophene-3-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 | 338750-51-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1)N2C=C(C(=O)NC2=O)C#N |
Product Overview
methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate (CAS 338750-51-9), with molecular formula C11H7N3O4S and molecular weight 277.02 g/mol. IUPAC: methyl 2-(5-cyano-2,4-dioxopyrimidin-1-yl)thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate
Property Insights of methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate
The XLogP value of 0.24558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate. The TPSA of 104.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-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 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate?
The CAS number of methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate is 338750-51-9.
What is the molecular formula of methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate?
The molecular formula of methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate is C11H7N3O4S.
What is the molecular weight of methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate?
The molecular weight of methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate is 277.02 g/mol.
Where can I buy methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate?
You can request a quote for methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.