BAS 00866176
TL;DR: BAS 00866176 (CAS 332051-41-9) is a chemical compound with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethylsulfanyl-4-(5-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00866176, 2-(ethylsulfanyl)-4-(5-methyl-2-thienyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, AE-848/11829308, 6-ethylsulfanyl-4-(5-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile, Cambridge id 5606491
| Molecular Formula | C13H14N2OS2 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 3.1483 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.05475 |
| Heavy Atoms | 18 |
| Complexity | 539.4313 |
Chemical Identifiers
| CAS Number | 332051-41-9 |
|---|---|
| SMILES | CCSC1=C(C(CC(=O)N1)C2=CC=C(S2)C)C#N |
Product Overview
BAS 00866176 (CAS 332051-41-9), with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol. IUPAC: 6-ethylsulfanyl-4-(5-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00866176
Property Insights of BAS 00866176
The XLogP value of 3.1483 indicates that BAS 00866176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, BAS 00866176 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00866176 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 00866176?
The CAS number of BAS 00866176 is 332051-41-9.
What is the molecular formula of BAS 00866176?
The molecular formula of BAS 00866176 is C13H14N2OS2.
What is the molecular weight of BAS 00866176?
The molecular weight of BAS 00866176 is 278.05 g/mol.
Where can I buy BAS 00866176?
You can request a quote for BAS 00866176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866176?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.