![2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline structure](/static/products/2451/245124-93-0.webp)
2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline
TL;DR: 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline (CAS 245124-93-0) is a chemical compound with molecular formula C17H13N3S2 and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,3-benzothiazole
Also Known As: CBKinase1_011296, CBKinase1_023696, 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline, 2-[(3-methylquinoxalin-2-yl)methylthio]benzothiazole, BRD-K58305109-001-01-7
| Molecular Formula | C17H13N3S2 |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.05508 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 245124-93-0 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4S3 |
| InChIKey | DPERMZGFIZJOCN-UHFFFAOYSA-N |
Product Overview
2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline (CAS 245124-93-0), with molecular formula C17H13N3S2 and molecular weight 323.06 g/mol. IUPAC: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline
Property Insights of 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline
The XLogP value of 4.4 indicates that 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline. Following Lipinski's Rule of Five, 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline has 0 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 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline?
The CAS number of 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline is 245124-93-0.
What is the molecular formula of 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline?
The molecular formula of 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline is C17H13N3S2.
What is the molecular weight of 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline?
The molecular weight of 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline is 323.06 g/mol.
Where can I buy 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline?
You can request a quote for 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-3-methylquinoxaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.