(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate
TL;DR: (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate (CAS 6327-41-9) is a chemical compound with molecular formula C11H9N3OS and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate
Also Known As: (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate, (4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate, 4-methyl-2-(thiocyanatomethyl)-4H-quinazoline 3-oxide, (4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl thiocyanate, (4-Methyl-3-oxo-3lambda~5~-quinazolin-2-yl)methyl thiocyanate
| Molecular Formula | C11H9N3OS |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.04663 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 6327-41-9 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CSC#N)[O-] |
| InChIKey | HODITGRKQBVCSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate (CAS 6327-41-9), with molecular formula C11H9N3OS and molecular weight 231.05 g/mol. IUPAC: (4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate.
Chemical Property Profile of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate
Property Insights of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate. Following Lipinski's Rule of Five, (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate 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 thiocyanate?
The CAS number of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate is 6327-41-9.
What is the molecular formula of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate?
The molecular formula of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate is C11H9N3OS.
What is the molecular weight of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate?
The molecular weight of (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate is 231.05 g/mol.
Where can I buy (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate?
You can request a quote for (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate 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 thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.