BAS 02589851
TL;DR: BAS 02589851 (CAS 375836-10-5) is a chemical compound with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hexylsulfanyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 02589851, 2-(hexylthio)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-hexylsulfanyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-(hexylsulfanyl)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-Hexylsulfanyl-4-(5-methyl-furan-2-yl)-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carbonitrile
| Molecular Formula | C17H22N2O2S |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.1402 |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 375836-10-5 |
|---|---|
| SMILES | CCCCCCSC1=C(C(CC(=O)N1)C2=CC=C(O2)C)C#N |
| InChIKey | GZQWTMNUGUESAA-UHFFFAOYSA-N |
Product Overview
BAS 02589851 (CAS 375836-10-5), with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol. IUPAC: 6-hexylsulfanyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 02589851
Property Insights of BAS 02589851
The XLogP value of 3.4 indicates that BAS 02589851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02589851. Following Lipinski's Rule of Five, BAS 02589851 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 BAS 02589851?
The CAS number of BAS 02589851 is 375836-10-5.
What is the molecular formula of BAS 02589851?
The molecular formula of BAS 02589851 is C17H22N2O2S.
What is the molecular weight of BAS 02589851?
The molecular weight of BAS 02589851 is 318.14 g/mol.
Where can I buy BAS 02589851?
You can request a quote for BAS 02589851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02589851?
Yes, KEHONG BIO provides custom synthesis services for BAS 02589851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.