3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
TL;DR: 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one (CAS 422274-53-1) is a chemical compound with molecular formula C14H11N3OS and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: Maybridge4_003633, 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one, UPCMLD0ENAT5373094:001, 3-(pyridin-3-ylmethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 2-mercapto-3-(pyridin-3-ylmethyl)quinazolin-4(3H)-one
| Molecular Formula | C14H11N3OS |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0623 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 422274-53-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CN=CC=C3 |
| InChIKey | PZLVJPPOFNKHFH-UHFFFAOYSA-N |
Product Overview
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one (CAS 422274-53-1), with molecular formula C14H11N3OS and molecular weight 269.06 g/mol. IUPAC: 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
Property Insights of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one. Following Lipinski's Rule of Five, 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one has 1 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 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one?
The CAS number of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one is 422274-53-1.
What is the molecular formula of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one?
The molecular formula of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one is C14H11N3OS.
What is the molecular weight of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one?
The molecular weight of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one is 269.06 g/mol.
Where can I buy 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one?
You can request a quote for 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.