ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate
TL;DR: ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate (CAS 123044-11-1) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate
Also Known As: ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate, ETHYL3-FORMYL-1,6-DIMETHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, ethyl 1-formyl-3,4-dimethyl-6-phenyl-2-sulfanylidene-6H-pyrimidine-5-carboxylate, ethyl 1-formyl-3,4-dimethyl-6-phenyl-2-thioxo-1,3,6-trihydropyrimidine-5-carbo xylate, ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.2535 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 627.5379 |
Chemical Identifiers
| CAS Number | 123044-11-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2)C=O)C)C |
Product Overview
ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate (CAS 123044-11-1), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate
Property Insights of ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate
The XLogP value of 2.2535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate. With a topological polar surface area (TPSA) of 49.85 Ų, ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate has 0 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 ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate?
The CAS number of ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate is 123044-11-1.
What is the molecular formula of ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate?
The molecular formula of ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate is C16H18N2O3S.
What is the molecular weight of ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate?
The molecular weight of ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate is 318.10 g/mol.
Where can I buy ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate?
You can request a quote for ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.