Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
TL;DR: Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 432010-97-4) is a chemical compound with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00117678-01, allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, allyl 6-methyl-4-(thiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, prop-2-en-1-yl 6-methyl-4-(thiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, prop-2-enyl 6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C13H14N2O2S2 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 2.2701 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.04968 |
| Heavy Atoms | 19 |
| Complexity | 534.84796 |
Chemical Identifiers
| CAS Number | 432010-97-4 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)OCC=C |
Product Overview
Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 432010-97-4), with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol. IUPAC: prop-2-enyl 6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Property Insights of Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
The XLogP value of 2.2701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. With a topological polar surface area (TPSA) of 50.36 Ų, Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 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 Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The CAS number of Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 432010-97-4.
What is the molecular formula of Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular formula of Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is C13H14N2O2S2.
What is the molecular weight of Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular weight of Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 294.05 g/mol.
Where can I buy Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
You can request a quote for Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.