![5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile structure](/static/products/110/110951-39-8.png)
5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile
TL;DR: 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile (CAS 110951-39-8) is a chemical compound with molecular formula C19H13N3OS and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-6-methyl-4-pyridin-3-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 5'-benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile, 5-benzoyl-6-methyl-4-pyridin-3-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C19H13N3OS |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 4.21729 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.07794 |
| Heavy Atoms | 24 |
| Complexity | 1002.52216 |
Chemical Identifiers
| CAS Number | 110951-39-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=S)N1)C#N)C2=CN=CC=C2)C(=O)C3=CC=CC=C3 |
Product Overview
5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile (CAS 110951-39-8), with molecular formula C19H13N3OS and molecular weight 331.08 g/mol. IUPAC: 5-benzoyl-6-methyl-4-pyridin-3-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile
Property Insights of 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile
The XLogP value of 4.21729 indicates that 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile. Following Lipinski's Rule of Five, 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile 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 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile?
The CAS number of 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile is 110951-39-8.
What is the molecular formula of 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile?
The molecular formula of 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile is C19H13N3OS.
What is the molecular weight of 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile?
The molecular weight of 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile is 331.08 g/mol.
Where can I buy 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile?
You can request a quote for 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5'-Benzoyl-6'-methyl-2'-thioxo-1',2'-dihydro-[3,4'-bipyridine]-3'-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.