Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate
TL;DR: Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate (CAS 301359-47-7) is a chemical compound with molecular formula C13H13FN2O2S and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: METHYL 2-(4-FLUOROPHENYL)-6-METHYL-4-THIOXO-2H,3H,5H-3,5-DIAZINECARBOXYLATE, methyl 4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, AB00983104-01, methyl 4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, methyl 6-(4-fluorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C13H13FN2O2S |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 1.7915 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.06818 |
| Heavy Atoms | 19 |
| Complexity | 554.2666 |
Chemical Identifiers
| CAS Number | 301359-47-7 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)F)C(=O)OC |
Product Overview
Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate (CAS 301359-47-7), with molecular formula C13H13FN2O2S and molecular weight 280.07 g/mol. IUPAC: methyl 4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate
Property Insights of Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate
The XLogP value of 1.7915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate. With a topological polar surface area (TPSA) of 50.36 Ų, Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate has 2 hydrogen bond donor(s) and 3 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-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
The CAS number of Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate is 301359-47-7.
What is the molecular formula of Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
The molecular formula of Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate is C13H13FN2O2S.
What is the molecular weight of Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
The molecular weight of Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate is 280.07 g/mol.
Where can I buy Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
You can request a quote for Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate 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-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-fluorophenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.