3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone
TL;DR: 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone (CAS 1897-81-0) is a chemical compound with molecular formula C16H13FN2O and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluoro-2-methylphenyl)-2-methylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(3-fluoro-2-methylphenyl)-2-methyl-, 5-24-03-00133 (Beilstein Handbook Reference), 2-Methyl-3-(3-fluoro-2-methylphenyl)-4(3H)-quinazolinone, 2-Methyl-3-(3'-fluor-2'-methylphenyl)chinazolinone-(4), 2-Methyl-3-(3'-fluor-2'-methylphenyl)chinazolinone-(4) [German]
| Molecular Formula | C16H13FN2O |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.1012 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 1897-81-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1F)N2C(=NC3=CC=CC=C3C2=O)C |
| InChIKey | HUEMYHSWRGMTAM-UHFFFAOYSA-N |
Product Overview
3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone (CAS 1897-81-0), with molecular formula C16H13FN2O and molecular weight 268.10 g/mol. IUPAC: 3-(3-fluoro-2-methylphenyl)-2-methylquinazolin-4-one.
Chemical Property Profile of 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone
Property Insights of 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone. With a topological polar surface area (TPSA) of 32.7 Ų, 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone has 0 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-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone?
The CAS number of 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone is 1897-81-0.
What is the molecular formula of 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone?
The molecular formula of 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone is C16H13FN2O.
What is the molecular weight of 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone?
The molecular weight of 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone is 268.10 g/mol.
Where can I buy 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone?
You can request a quote for 3-(3-Fluoro-2-methylphenyl)-2-methyl-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 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.