3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone
TL;DR: 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone (CAS 848745-57-3) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
Also Known As: 3-methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone, 3-methoxy-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one, 3-methoxy-2-((pyridin-3-ylmethyl)thio)quinazolin-4(3H)-one, 3-methoxy-2-[(pyridin-3-ylmethyl)sulfanyl]quinazolin-4(3H)-one
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 848745-57-3 |
|---|---|
| SMILES | CON1C(=O)C2=CC=CC=C2N=C1SCC3=CN=CC=C3 |
| InChIKey | ZNSQCCUWJYPCOB-UHFFFAOYSA-N |
Product Overview
3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone (CAS 848745-57-3), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 3-methoxy-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one.
Chemical Property Profile of 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone
Property Insights of 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone. Following Lipinski's Rule of Five, 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone has 0 hydrogen bond donor(s) and 5 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-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone?
The CAS number of 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone is 848745-57-3.
What is the molecular formula of 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone?
The molecular formula of 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone is C15H13N3O2S.
What is the molecular weight of 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone?
The molecular weight of 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone is 299.07 g/mol.
Where can I buy 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone?
You can request a quote for 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.