4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
TL;DR: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one (CAS 864544-68-3) is a chemical compound with molecular formula C17H12N2OS2 and molecular weight 324.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
Also Known As: TimTec1_004150, 4-(benzothiazol-2-ylthiomethyl)hydroquinolin-2-one, 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one, AO-080/43441621, 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2(1H)-quinolinone
| Molecular Formula | C17H12N2OS2 |
|---|---|
| Molecular Weight | 324.04 g/mol |
| LogP | 4.4301 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.0391 |
| Heavy Atoms | 22 |
| Complexity | 986.70703 |
Chemical Identifiers
| CAS Number | 864544-68-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)N2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one (CAS 864544-68-3), with molecular formula C17H12N2OS2 and molecular weight 324.04 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one.
Chemical Property Profile of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
Property Insights of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
The XLogP value of 4.4301 indicates that 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one 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 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The CAS number of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one is 864544-68-3.
What is the molecular formula of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The molecular formula of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one is C17H12N2OS2.
What is the molecular weight of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The molecular weight of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one is 324.04 g/mol.
Where can I buy 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
You can request a quote for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.