F1154-0050
TL;DR: F1154-0050 (CAS 5312-37-8) is a chemical compound with molecular formula C19H15ClN2OS and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 01235453, 2-(benzylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-(benzylthio)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-benzylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-(benzylthio)-4-(o-chlorophenyl)-6-oxo-1,4,5,6-tetrahydronicotinonitrile
| Molecular Formula | C19H15ClN2OS |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 4.61208 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.05936 |
| Heavy Atoms | 24 |
| Complexity | 826.7605 |
Chemical Identifiers
| CAS Number | 5312-37-8 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl |
Product Overview
F1154-0050 (CAS 5312-37-8), with molecular formula C19H15ClN2OS and molecular weight 354.06 g/mol. IUPAC: 6-benzylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of F1154-0050
Property Insights of F1154-0050
The XLogP value of 4.61208 indicates that F1154-0050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, F1154-0050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1154-0050 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 F1154-0050?
The CAS number of F1154-0050 is 5312-37-8.
What is the molecular formula of F1154-0050?
The molecular formula of F1154-0050 is C19H15ClN2OS.
What is the molecular weight of F1154-0050?
The molecular weight of F1154-0050 is 354.06 g/mol.
Where can I buy F1154-0050?
You can request a quote for F1154-0050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1154-0050?
Yes, KEHONG BIO provides custom synthesis services for F1154-0050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.