3-(EtOCO)-2-Pyridinone, 4-PhS deriv.
TL;DR: 3-(EtOCO)-2-Pyridinone, 4-PhS deriv. (CAS 172469-91-9) is a chemical compound with molecular formula C19H23NO3S and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
Also Known As: 3-(EtOCO)-2-Pyridinone, 4-PhS deriv., 3-Pyridinecarboxylic acid, 4-((3,5-dimethylphenyl)thio)-5-ethyl-1,2-dihydro-6-methyl-2-oxo-, ethyl ester, ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate, ethyl 4-[(3,5-dimethylphenyl)sulfanyl]-5-ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate, 5-ethyl-6-methyl-3-carbethoxy-4-(3', 5'-dimethylphenyl)thio-pyridin-2(1H)-one
| Molecular Formula | C19H23NO3S |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.13986 |
| Heavy Atoms | 24 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 172469-91-9 |
|---|---|
| SMILES | CCC1=C(NC(=O)C(=C1SC2=CC(=CC(=C2)C)C)C(=O)OCC)C |
| InChIKey | HDCVUVBODUPMJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(EtOCO)-2-Pyridinone, 4-PhS deriv. (CAS 172469-91-9), with molecular formula C19H23NO3S and molecular weight 345.14 g/mol. IUPAC: ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of 3-(EtOCO)-2-Pyridinone, 4-PhS deriv.
Property Insights of 3-(EtOCO)-2-Pyridinone, 4-PhS deriv.
The XLogP value of 3.9 indicates that 3-(EtOCO)-2-Pyridinone, 4-PhS deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(EtOCO)-2-Pyridinone, 4-PhS deriv.. Following Lipinski's Rule of Five, 3-(EtOCO)-2-Pyridinone, 4-PhS deriv. has 1 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 3-(EtOCO)-2-Pyridinone, 4-PhS deriv.?
The CAS number of 3-(EtOCO)-2-Pyridinone, 4-PhS deriv. is 172469-91-9.
What is the molecular formula of 3-(EtOCO)-2-Pyridinone, 4-PhS deriv.?
The molecular formula of 3-(EtOCO)-2-Pyridinone, 4-PhS deriv. is C19H23NO3S.
What is the molecular weight of 3-(EtOCO)-2-Pyridinone, 4-PhS deriv.?
The molecular weight of 3-(EtOCO)-2-Pyridinone, 4-PhS deriv. is 345.14 g/mol.
Where can I buy 3-(EtOCO)-2-Pyridinone, 4-PhS deriv.?
You can request a quote for 3-(EtOCO)-2-Pyridinone, 4-PhS deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(EtOCO)-2-Pyridinone, 4-PhS deriv.?
Yes, KEHONG BIO provides custom synthesis services for 3-(EtOCO)-2-Pyridinone, 4-PhS deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.