Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide
TL;DR: Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide (CAS 6965-83-9) is a chemical compound with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole
Also Known As: Quinazoline,2-[ methyl]-4-methyl-,3-oxide, Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide, 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole, 2-{[(1,3-Benzothiazol-2-yl)sulfanyl]methyl}-4-methyl-3-oxo-3lambda~5~-quinazoline
| Molecular Formula | C17H13N3OS2 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.05002 |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 6965-83-9 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4S3)[O-] |
| InChIKey | IIVRSDOBYSDZIQ-UHFFFAOYSA-N |
Product Overview
Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide (CAS 6965-83-9), with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol. IUPAC: 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide
Property Insights of Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide
The XLogP value of 3.8 indicates that Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide. Following Lipinski's Rule of Five, Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide 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 Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide?
The CAS number of Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide is 6965-83-9.
What is the molecular formula of Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide?
The molecular formula of Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide is C17H13N3OS2.
What is the molecular weight of Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide?
The molecular weight of Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide is 339.05 g/mol.
Where can I buy Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide?
You can request a quote for Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for Quinazoline, 2-((2-benzothiazolylthio)methyl)-4-methyl-, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.