2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol
TL;DR: 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol (CAS 6965-81-7) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 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]ethanol
Also Known As: 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol, Ethanol, 2-[[(4-methyl-3-oxido-2-quinazolinyl)methyl]thio]-, 2-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylsulfanyl]ethanol, 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]ethanol, 2-{[(4-Methyl-3-oxo-3lambda~5~-quinazolin-2-yl)methyl]sulfanyl}ethan-1-ol
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 6965-81-7 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CSCCO)[O-] |
| InChIKey | CKKKMBQXGUQQAC-UHFFFAOYSA-N |
Product Overview
2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol (CAS 6965-81-7), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]ethanol.
Chemical Property Profile of 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol
Property Insights of 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol. Following Lipinski's Rule of Five, 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol 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 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol?
The CAS number of 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol is 6965-81-7.
What is the molecular formula of 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol?
The molecular formula of 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol is C12H14N2O2S.
What is the molecular weight of 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol?
The molecular weight of 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol is 250.08 g/mol.
Where can I buy 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol?
You can request a quote for 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.