Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-
TL;DR: Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)- (CAS 6338-84-7) is a chemical compound with molecular formula C16H15N3OS and molecular weight 297.09 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]aniline
Also Known As: Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-, 2-{[(4-methyl-3-oxidoquinazolin-2-yl)methyl]sulfanyl}aniline, 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]aniline, 2-(((4-Methyl-3-oxido-2-quinazolinyl)methyl)thio)-benzenamine, 2-[(4-Methyl-3-oxo-4h-quinazolin-2-yl)methylsulfanyl]aniline
| Molecular Formula | C16H15N3OS |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0936 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 6338-84-7 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CSC3=CC=CC=C3N)[O-] |
| InChIKey | UUKYTAYBGRSPPB-UHFFFAOYSA-N |
Product Overview
Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)- (CAS 6338-84-7), with molecular formula C16H15N3OS and molecular weight 297.09 g/mol. IUPAC: 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]aniline.
Chemical Property Profile of Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-
Property Insights of Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-. Following Lipinski's Rule of Five, Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)- 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 Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-?
The CAS number of Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)- is 6338-84-7.
What is the molecular formula of Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-?
The molecular formula of Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)- is C16H15N3OS.
What is the molecular weight of Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-?
The molecular weight of Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)- is 297.09 g/mol.
Where can I buy Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-?
You can request a quote for Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2-(((4-methyl-3-oxido-2-quinazolinyl)methyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.