Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate
TL;DR: Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate (CAS 126827-26-7) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: IDI1_020502, UPCMLD0ENAT5696917:001, AF-399/40828169, Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate, methyl 1,6-dimethyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Technical Specifications
| Molecular Formula | C14H16N2O2S |
| Molecular Weight | 276.09326 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.09326 Da |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
| SMILES | CC1=C(C(NC(=S)N1C)C2=CC=CC=C2)C(=O)OC |
| InChIKey | QMUWGPALEWDVLD-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate
Property Insights of Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate has 1 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 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate?
The CAS number of Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate is 126827-26-7.
What is the molecular formula of Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate?
The molecular formula of Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate is C14H16N2O2S.
What is the molecular weight of Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate?
The molecular weight of Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate is 276.09326 g/mol.
Where can I buy Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate?
You can request a quote for Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.