BAS 00866245
TL;DR: BAS 00866245 (CAS 332051-75-9) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3-methoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00866245, AB00090612-01, AE-848/11827117, 4-(4-hydroxy-3-methoxyphenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(4-hydroxy-3-methoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.65868 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 676.45874 |
Chemical Identifiers
| CAS Number | 332051-75-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC=C)O |
Product Overview
BAS 00866245 (CAS 332051-75-9), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: 4-(4-hydroxy-3-methoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00866245
Property Insights of BAS 00866245
The XLogP value of 2.65868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00866245. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866245. Following Lipinski's Rule of Five, BAS 00866245 has 2 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 00866245?
The CAS number of BAS 00866245 is 332051-75-9.
What is the molecular formula of BAS 00866245?
The molecular formula of BAS 00866245 is C16H16N2O3S.
What is the molecular weight of BAS 00866245?
The molecular weight of BAS 00866245 is 316.09 g/mol.
Where can I buy BAS 00866245?
You can request a quote for BAS 00866245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866245?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.