1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile (CAS 478043-01-5) is a chemical compound with molecular formula C21H18N2OS and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methylphenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
Also Known As: 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile, 4L-584S, 1-[(3-methylphenyl)methyl]-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile, 1-[(3-methylphenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile, 4-methylsulfanyl-1-(m-tolylmethyl)-2-oxo-6-phenyl-pyridine-3-carbonitrile
| Molecular Formula | C21H18N2OS |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 4.4656 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.11398 |
| Heavy Atoms | 25 |
| Complexity | 1000.64 |
Chemical Identifiers
| CAS Number | 478043-01-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C(=CC(=C(C2=O)C#N)SC)C3=CC=CC=C3 |
Product Overview
1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile (CAS 478043-01-5), with molecular formula C21H18N2OS and molecular weight 346.11 g/mol. IUPAC: 1-[(3-methylphenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 4.4656 indicates that 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile has 0 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 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile is 478043-01-5.
What is the molecular formula of 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile is C21H18N2OS.
What is the molecular weight of 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile is 346.11 g/mol.
Where can I buy 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methylbenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.