1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile (CAS 478249-08-0) is a chemical compound with molecular formula C18H14N2OS and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methylphenyl)methyl]-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: 1-(2-methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile, 1-[(2-methylphenyl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile, 9R-0202, 1-(o-tolylmethyl)-2-oxo-4-(2-thienyl)pyridine-3-carbonitrile, 1-[(2-methylphenyl)methyl]-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
| Molecular Formula | C18H14N2OS |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 3.8052 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.08267 |
| Heavy Atoms | 22 |
| Complexity | 901.57684 |
Chemical Identifiers
| CAS Number | 478249-08-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C=CC(=C(C2=O)C#N)C3=CC=CS3 |
Product Overview
1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile (CAS 478249-08-0), with molecular formula C18H14N2OS and molecular weight 306.08 g/mol. IUPAC: 1-[(2-methylphenyl)methyl]-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 3.8052 indicates that 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-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-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-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-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile is 478249-08-0.
What is the molecular formula of 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile is C18H14N2OS.
What is the molecular weight of 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile is 306.08 g/mol.
Where can I buy 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-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-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylbenzyl)-2-oxo-4-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.