Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate
TL;DR: Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate (CAS 863669-54-9) is a chemical compound with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate
Also Known As: methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate, methyl 6-methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate, methyl 6-methyl-2-oxo-4-thioxo-1H-pyrimidine-5-carboxylate, methyl 4-methyl-2-oxo-6-thioxo-1,3-dihydropyrimidine-5-carboxylate
| Molecular Formula | C7H8N2O3S |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 0.52751 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.02556 |
| Heavy Atoms | 13 |
| Complexity | 445.78625 |
Chemical Identifiers
| CAS Number | 863669-54-9 |
|---|---|
| SMILES | CC1=C(C(=S)NC(=O)N1)C(=O)OC |
Product Overview
Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate (CAS 863669-54-9), with molecular formula C7H8N2O3S and molecular weight 200.03 g/mol. IUPAC: methyl 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate
Property Insights of Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate
The XLogP value of 0.52751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 4 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 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate?
The CAS number of Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate is 863669-54-9.
What is the molecular formula of Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate?
The molecular formula of Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate is C7H8N2O3S.
What is the molecular weight of Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate?
The molecular weight of Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate is 200.03 g/mol.
Where can I buy Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate?
You can request a quote for Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-methyl-2-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.