BAS 00866188
TL;DR: BAS 00866188 (CAS 310454-27-4) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00866188, AE-848/37125103, 4-(2,5-dimethoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, 4-(2,5-dimethoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(2,5-dimethoxyphenyl)-6-hydroxy-2-(methylsulfanyl)-4,5-dihydropyridine-3-carbonitrile
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.40548 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 634.29614 |
Chemical Identifiers
| CAS Number | 310454-27-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2CC(=O)NC(=C2C#N)SC |
Product Overview
BAS 00866188 (CAS 310454-27-4), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00866188
Property Insights of BAS 00866188
The XLogP value of 2.40548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00866188. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866188. Following Lipinski's Rule of Five, BAS 00866188 has 1 hydrogen bond donor(s) and 5 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 00866188?
The CAS number of BAS 00866188 is 310454-27-4.
What is the molecular formula of BAS 00866188?
The molecular formula of BAS 00866188 is C15H16N2O3S.
What is the molecular weight of BAS 00866188?
The molecular weight of BAS 00866188 is 304.09 g/mol.
Where can I buy BAS 00866188?
You can request a quote for BAS 00866188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866188?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.