4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide
TL;DR: 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide (CAS 6965-87-3) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(methylsulfonylmethyl)-3-oxidoquinazolin-3-ium
Also Known As: 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide, 4-methyl-2-(methylsulfonylmethyl)-3-oxidoquinazolin-3-ium, 4-methyl-2-(methylsulfonylmethyl)-3-oxido-quinazolin-3-ium, 2-[(Methanesulfonyl)methyl]-4-methyl-3-oxo-3lambda~5~-quinazoline, Methyl (4-methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl sulfone
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 6965-87-3 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CS(=O)(=O)C)[O-] |
| InChIKey | HWLMOWBQFZLOJT-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide (CAS 6965-87-3), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: 4-methyl-2-(methylsulfonylmethyl)-3-oxidoquinazolin-3-ium.
Chemical Property Profile of 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide
Property Insights of 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide. Following Lipinski's Rule of Five, 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide has 0 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-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide?
The CAS number of 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide is 6965-87-3.
What is the molecular formula of 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide?
The molecular formula of 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide is C11H12N2O3S.
What is the molecular weight of 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide?
The molecular weight of 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide is 252.06 g/mol.
Where can I buy 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide?
You can request a quote for 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-((methylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.