2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone
TL;DR: 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone (CAS 86134-19-2) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Also Known As: 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 2-methyl-3-(3-methyl-5-isoxazolyl)-, 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one, 2-Methyl-3-(3-methylisoxazol-5-yl)quinazolin-4(3H)-one, 2-methyl-3-(3-methylisoxazol-5-yl)quinazolin-4-one
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 86134-19-2 |
|---|---|
| SMILES | CC1=NOC(=C1)N2C(=NC3=CC=CC=C3C2=O)C |
| InChIKey | OBKNRVAXTAVHHJ-UHFFFAOYSA-N |
Product Overview
2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone (CAS 86134-19-2), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: 2-methyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one.
Chemical Property Profile of 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone
Property Insights of 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone. With a topological polar surface area (TPSA) of 58.7 Ų, 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone 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 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone?
The CAS number of 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone is 86134-19-2.
What is the molecular formula of 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone?
The molecular formula of 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone is C13H11N3O2.
What is the molecular weight of 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone?
The molecular weight of 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone is 241.09 g/mol.
Where can I buy 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone?
You can request a quote for 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.