6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 189132-35-2) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclopropyl-4-(4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: AE-848/12530612, 6-cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 6-cyclopropyl-4-(4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C16H14N2OS |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 4.16887 |
| Topological Polar Surface Area | 48.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.08267 |
| Heavy Atoms | 20 |
| Complexity | 736.5527 |
Chemical Identifiers
| CAS Number | 189132-35-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C3CC3)C#N |
Product Overview
6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 189132-35-2), with molecular formula C16H14N2OS and molecular weight 282.08 g/mol. IUPAC: 6-cyclopropyl-4-(4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 4.16887 indicates that 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.81 Ų, 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile has 1 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 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 189132-35-2.
What is the molecular formula of 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is C16H14N2OS.
What is the molecular weight of 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 282.08 g/mol.
Where can I buy 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Cyclopropyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.