Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester
TL;DR: Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester (CAS 2006-80-6) 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 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate
Also Known As: B 270, methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate, 5-24-03-00157 (Beilstein Handbook Reference), BAS 01024272, Methyl o-(2-methyl-3-(4(3H)-quinazolinonyl))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 | 488.0 |
Chemical Identifiers
| CAS Number | 2006-80-6 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(=O)OC |
| InChIKey | GWYMSEVUCVMJFZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester (CAS 2006-80-6), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate.
Chemical Property Profile of Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester
Property Insights of Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester 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 Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester?
The CAS number of Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester is 2006-80-6.
What is the molecular formula of Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester?
The molecular formula of Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester is C17H14N2O3.
What is the molecular weight of Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester?
The molecular weight of Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester is 294.10 g/mol.
Where can I buy Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester?
You can request a quote for Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.