Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester
TL;DR: Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester (CAS 78373-11-2) is a chemical compound with molecular formula C17H13N3O5 and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-methyl-7-nitro-4-oxoquinazolin-3-yl)benzoate
Also Known As: Methyl4- benzoate, Methyl 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)benzoate, Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester, methyl 4-(2-methyl-7-nitro-4-oxoquinazolin-3-yl)benzoate, Methyl 4-(2-methyl-7-nitro-4-oxoquinazolin-3(4H)-yl)benzoate
| Molecular Formula | C17H13N3O5 |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 2.38892 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.0855 |
| Heavy Atoms | 25 |
| Complexity | 1054.3066 |
Chemical Identifiers
| CAS Number | 78373-11-2 |
|---|---|
| SMILES | CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C3=CC=C(C=C3)C(=O)OC |
Product Overview
Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester (CAS 78373-11-2), with molecular formula C17H13N3O5 and molecular weight 339.09 g/mol. IUPAC: methyl 4-(2-methyl-7-nitro-4-oxoquinazolin-3-yl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester
Property Insights of Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester
The XLogP value of 2.38892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester. The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester has 0 hydrogen bond donor(s) and 6 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, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
The CAS number of Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester is 78373-11-2.
What is the molecular formula of Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
The molecular formula of Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester is C17H13N3O5.
What is the molecular weight of Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
The molecular weight of Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester is 339.09 g/mol.
Where can I buy Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
You can request a quote for Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, 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, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.