(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone
TL;DR: (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone (CAS 6965-84-0) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonylmethyl)-4-methyl-3-oxidoquinazolin-3-ium
Also Known As: (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone, 2-(benzenesulfonylmethyl)-4-methyl-3-oxidoquinazolin-3-ium, 2-(benzenesulfonylmethyl)-4-methyl-3-oxido-quinazolin-3-ium, 2-[(Benzenesulfonyl)methyl]-4-methyl-3-oxo-3lambda~5~-quinazoline, 4-Methyl-2-((phenylsulfonyl)methyl)-2,3-dihydroquinazoline 3-oxide
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 6965-84-0 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CS(=O)(=O)C3=CC=CC=C3)[O-] |
| InChIKey | CCBXWSJHDIHWKU-UHFFFAOYSA-N |
Product Overview
(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone (CAS 6965-84-0), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 2-(benzenesulfonylmethyl)-4-methyl-3-oxidoquinazolin-3-ium.
Chemical Property Profile of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone
Property Insights of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone. Following Lipinski's Rule of Five, (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone 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-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone?
The CAS number of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone is 6965-84-0.
What is the molecular formula of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone?
The molecular formula of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone is C16H14N2O3S.
What is the molecular weight of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone?
The molecular weight of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone is 314.07 g/mol.
Where can I buy (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone?
You can request a quote for (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.