BAS 00865786
TL;DR: BAS 00865786 (CAS 332046-37-4) is a chemical compound with molecular formula C13H10Cl2N2OS and molecular weight 311.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dichlorophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00865786, AB00090489-01, 4-(2,4-dichlorophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(2,4-dichlorophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(2,4-dichlorophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
| Molecular Formula | C13H10Cl2N2OS |
|---|---|
| Molecular Weight | 311.99 g/mol |
| LogP | 3.69508 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.98907 |
| Heavy Atoms | 19 |
| Complexity | 607.15106 |
Chemical Identifiers
| CAS Number | 332046-37-4 |
|---|---|
| SMILES | CSC1=C(C(CC(=O)N1)C2=C(C=C(C=C2)Cl)Cl)C#N |
Product Overview
BAS 00865786 (CAS 332046-37-4), with molecular formula C13H10Cl2N2OS and molecular weight 311.99 g/mol. IUPAC: 4-(2,4-dichlorophenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00865786
Property Insights of BAS 00865786
The XLogP value of 3.69508 indicates that BAS 00865786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, BAS 00865786 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00865786 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 BAS 00865786?
The CAS number of BAS 00865786 is 332046-37-4.
What is the molecular formula of BAS 00865786?
The molecular formula of BAS 00865786 is C13H10Cl2N2OS.
What is the molecular weight of BAS 00865786?
The molecular weight of BAS 00865786 is 311.99 g/mol.
Where can I buy BAS 00865786?
You can request a quote for BAS 00865786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865786?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.