BAS 02589847
TL;DR: BAS 02589847 (CAS 375352-62-8) is a chemical compound with molecular formula C16H17ClN2OS and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 02589847, 2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, 2-(butylsulfanyl)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, AE-848/15341306, 2-(butylthio)-4-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C16H17ClN2OS |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 4.21198 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.075 |
| Heavy Atoms | 21 |
| Complexity | 606.5397 |
Chemical Identifiers
| CAS Number | 375352-62-8 |
|---|---|
| SMILES | CCCCSC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C#N |
Product Overview
BAS 02589847 (CAS 375352-62-8), with molecular formula C16H17ClN2OS and molecular weight 320.07 g/mol. IUPAC: 6-butylsulfanyl-4-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 02589847
Property Insights of BAS 02589847
The XLogP value of 4.21198 indicates that BAS 02589847 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 02589847 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02589847 has 1 hydrogen bond donor(s) and 3 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 02589847?
The CAS number of BAS 02589847 is 375352-62-8.
What is the molecular formula of BAS 02589847?
The molecular formula of BAS 02589847 is C16H17ClN2OS.
What is the molecular weight of BAS 02589847?
The molecular weight of BAS 02589847 is 320.07 g/mol.
Where can I buy BAS 02589847?
You can request a quote for BAS 02589847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02589847?
Yes, KEHONG BIO provides custom synthesis services for BAS 02589847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.