Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate
TL;DR: Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate (CAS 301359-48-8) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: starbld0014899, UPCMLD0ENAT5696635:001, BAS 00486167, methyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, J2.715.169H
| Molecular Formula | C15H18N2O4S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 1.6696 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.09872 |
| Heavy Atoms | 22 |
| Complexity | 642.4297 |
Chemical Identifiers
| CAS Number | 301359-48-8 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OC |
Product Overview
Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate (CAS 301359-48-8), with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol. IUPAC: methyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate
Property Insights of Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate
The XLogP value of 1.6696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate has 2 hydrogen bond donor(s) and 5 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-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
The CAS number of Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate is 301359-48-8.
What is the molecular formula of Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
The molecular formula of Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate is C15H18N2O4S.
What is the molecular weight of Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
The molecular weight of Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate is 322.10 g/mol.
Where can I buy Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
You can request a quote for Methyl 2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3,4-dimethoxyphenyl)-6-methyl-4-thioxo-2H,3H,5H-3,5-diazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.