4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-
TL;DR: 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)- (CAS 86134-18-1) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Also Known As: 3-(3-Methyl-5-isoxazolyl)-4(3H)-quinazolinone, 3-(3-Methylisoxazol-5-yl)quinazolin-4(3H)-one, 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-, 3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one, 3-(3-methyl-1,2-oxazol-5-yl)-3,4-dihydroquinazolin-4-one
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 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 | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 86134-18-1 |
|---|---|
| SMILES | CC1=NOC(=C1)N2C=NC3=CC=CC=C3C2=O |
| InChIKey | LTRHQEBFWROVEA-UHFFFAOYSA-N |
Product Overview
4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)- (CAS 86134-18-1), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: 3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one.
Chemical Property Profile of 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-
Property Insights of 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-. With a topological polar surface area (TPSA) of 58.7 Ų, 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)- 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(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-?
The CAS number of 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)- is 86134-18-1.
What is the molecular formula of 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-?
The molecular formula of 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)- is C12H9N3O2.
What is the molecular weight of 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-?
The molecular weight of 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)- is 227.07 g/mol.
Where can I buy 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-?
You can request a quote for 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.