Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 126827-25-6) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 6-methyl-4-phenyl-2H-pyran-2-one, BAS 03182790, METHYL 6-METHYL-4-PHENYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidi
Technical Specifications
| Molecular Formula | C13H14N2O2S |
| Molecular Weight | 262.0776 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0776 Da |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CC=C2)C(=O)OC |
| InChIKey | BITNETQOCMZGKF-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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
What is the CAS number of Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 126827-25-6.
What is the molecular formula of Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C13H14N2O2S.
What is the molecular weight of Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 262.0776 g/mol.
Where can I buy Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.