Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide
TL;DR: Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide (CAS 6338-83-6) is a chemical compound with molecular formula C14H18N2OS and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylsulfanylmethyl)-4-methyl-3-oxidoquinazolin-3-ium
Also Known As: Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide, 2-[(butylsulfanyl)methyl]-4-methylquinazoline 3-oxide, 2-butylsulfanylmethyl-4-methyl-quinazoline 3-oxide, 2-(butylsulfanylmethyl)-4-methyl-3-oxidoquinazolin-3-ium, 2-[(Butylsulfanyl)methyl]-4-methyl-3-oxo-3lambda~5~-quinazoline
| Molecular Formula | C14H18N2OS |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.11398 |
| Heavy Atoms | 18 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 6338-83-6 |
|---|---|
| SMILES | CCCCSCC1=NC2=CC=CC=C2C(=[N+]1[O-])C |
| InChIKey | MZUPYYZZPZPWTM-UHFFFAOYSA-N |
Product Overview
Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide (CAS 6338-83-6), with molecular formula C14H18N2OS and molecular weight 262.11 g/mol. IUPAC: 2-(butylsulfanylmethyl)-4-methyl-3-oxidoquinazolin-3-ium.
Chemical Property Profile of Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide
Property Insights of Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide. Following Lipinski's Rule of Five, Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide has 0 hydrogen bond donor(s) and 3 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-((butylthio)methyl)-4-methyl-, 3-oxide?
The CAS number of Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide is 6338-83-6.
What is the molecular formula of Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide?
The molecular formula of Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide is C14H18N2OS.
What is the molecular weight of Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide?
The molecular weight of Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide is 262.11 g/mol.
Where can I buy Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide?
You can request a quote for Quinazoline, 2-((butylthio)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-((butylthio)methyl)-4-methyl-, 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for Quinazoline, 2-((butylthio)methyl)-4-methyl-, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.