ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran
TL;DR: ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran (CAS 69310-91-4) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyrano[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran, ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyrano[2,3-d]pyrimidine-6-carboxylate, 2H-PYRANO[2,3-D]PYRIMIDINE-6-CARBOXYLICACID, 1,3,4,5,6,7-HEXAHYDRO-4-OXO-7-PHENYL-2-THIOXO-, ETHYL ESTER, Ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,3,4,5,6,7-hexahydro-2H-pyrano[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.28799 |
| Topological Polar Surface Area | 84.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 827.9642 |
Chemical Identifiers
| CAS Number | 69310-91-4 |
|---|---|
| SMILES | CCOC(=O)C1CC2=C(NC(=S)NC2=O)OC1C3=CC=CC=C3 |
Product Overview
ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran (CAS 69310-91-4), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyrano[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran
Property Insights of ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran
The XLogP value of 2.28799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran. The TPSA of 84.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran. Following Lipinski's Rule of Five, ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran 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 ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran?
The CAS number of ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran is 69310-91-4.
What is the molecular formula of ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran?
The molecular formula of ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran is C16H16N2O4S.
What is the molecular weight of ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran?
The molecular weight of ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran is 332.08 g/mol.
Where can I buy ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran?
You can request a quote for ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-oxo-7-phenyl-2-sulfanylidene-1,5,6,7-tetrahydropyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.