BAS 00866189
TL;DR: BAS 00866189 (CAS 330557-84-1) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00866189, AB00090526-01, AE-848/11829317, 4-(2,5-dimethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(2,5-dimethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.79558 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 649.28125 |
Chemical Identifiers
| CAS Number | 330557-84-1 |
|---|---|
| SMILES | CCSC1=C(C(CC(=O)N1)C2=C(C=CC(=C2)OC)OC)C#N |
Product Overview
BAS 00866189 (CAS 330557-84-1), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00866189
Property Insights of BAS 00866189
The XLogP value of 2.79558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00866189. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866189. Following Lipinski's Rule of Five, BAS 00866189 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 00866189?
The CAS number of BAS 00866189 is 330557-84-1.
What is the molecular formula of BAS 00866189?
The molecular formula of BAS 00866189 is C16H18N2O3S.
What is the molecular weight of BAS 00866189?
The molecular weight of BAS 00866189 is 318.10 g/mol.
Where can I buy BAS 00866189?
You can request a quote for BAS 00866189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866189?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.