BAS 00866203
TL;DR: BAS 00866203 (CAS 332051-52-2) is a chemical compound with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00866203, AE-848/11829322, 6-benzylsulfanyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, 2-(benzylsulfanyl)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-(benzylsulfanyl)-4-(5-methyl-2-furyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 3.8601 |
| Topological Polar Surface Area | 66.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 786.85297 |
Chemical Identifiers
| CAS Number | 332051-52-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3 |
Product Overview
BAS 00866203 (CAS 332051-52-2), with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol. IUPAC: 6-benzylsulfanyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00866203
Property Insights of BAS 00866203
The XLogP value of 3.8601 indicates that BAS 00866203 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866203. Following Lipinski's Rule of Five, BAS 00866203 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 00866203?
The CAS number of BAS 00866203 is 332051-52-2.
What is the molecular formula of BAS 00866203?
The molecular formula of BAS 00866203 is C18H16N2O2S.
What is the molecular weight of BAS 00866203?
The molecular weight of BAS 00866203 is 324.09 g/mol.
Where can I buy BAS 00866203?
You can request a quote for BAS 00866203 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866203?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866203 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.