methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate
TL;DR: methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate (CAS 35218-84-9) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
Also Known As: ChemDiv2_003715, methyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate, IDI1_002430, methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate, methyl 4-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzoate
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 35218-84-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)OC |
| InChIKey | TUNOODQSKKFMOH-UHFFFAOYSA-N |
Product Overview
methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate (CAS 35218-84-9), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: methyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate.
Chemical Property Profile of methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate
Property Insights of methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate. With a topological polar surface area (TPSA) of 59.0 Ų, methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate 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 methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate?
The CAS number of methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate is 35218-84-9.
What is the molecular formula of methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate?
The molecular formula of methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate is C17H14N2O3.
What is the molecular weight of methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate?
The molecular weight of methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate is 294.10 g/mol.
Where can I buy methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate?
You can request a quote for methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.