3-AcNH-2-Pyridinone, 4-PhS deriv.
TL;DR: 3-AcNH-2-Pyridinone, 4-PhS deriv. (CAS 172469-99-7) is a chemical compound with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]acetamide
Also Known As: 3-AcNH-2-Pyridinone, 4-PhS deriv., Acetamide, N-(4-((3,5-dimethylphenyl)thio)-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl)-, 3-Acetamido-5-methyl-4-((3',5'-dimethylphenyl)thio)pyridin-2(1H)-one, N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]acetamide, ACETAMIDE,N-[4-[(3,5-DIMETHYLPHENYL)THIO]-1,2-DIHYDRO-5-METHYL-2-OXO-3-PYRIDINYL]-
| Molecular Formula | C16H18N2O2S |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.1089 |
| Heavy Atoms | 21 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 172469-99-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)SC2=C(C(=O)NC=C2C)NC(=O)C)C |
| InChIKey | FATTXJGHNGENGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-AcNH-2-Pyridinone, 4-PhS deriv. (CAS 172469-99-7), with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol. IUPAC: N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]acetamide.
Chemical Property Profile of 3-AcNH-2-Pyridinone, 4-PhS deriv.
Property Insights of 3-AcNH-2-Pyridinone, 4-PhS deriv.
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-AcNH-2-Pyridinone, 4-PhS deriv.. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-AcNH-2-Pyridinone, 4-PhS deriv.. Following Lipinski's Rule of Five, 3-AcNH-2-Pyridinone, 4-PhS deriv. has 2 hydrogen bond donor(s) and 3 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-AcNH-2-Pyridinone, 4-PhS deriv.?
The CAS number of 3-AcNH-2-Pyridinone, 4-PhS deriv. is 172469-99-7.
What is the molecular formula of 3-AcNH-2-Pyridinone, 4-PhS deriv.?
The molecular formula of 3-AcNH-2-Pyridinone, 4-PhS deriv. is C16H18N2O2S.
What is the molecular weight of 3-AcNH-2-Pyridinone, 4-PhS deriv.?
The molecular weight of 3-AcNH-2-Pyridinone, 4-PhS deriv. is 302.11 g/mol.
Where can I buy 3-AcNH-2-Pyridinone, 4-PhS deriv.?
You can request a quote for 3-AcNH-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-AcNH-2-Pyridinone, 4-PhS deriv.?
Yes, KEHONG BIO provides custom synthesis services for 3-AcNH-2-Pyridinone, 4-PhS deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.