4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid
TL;DR: 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid (CAS 477552-43-5) is a chemical compound with molecular formula C16H11IN2O3 and molecular weight 405.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)benzoic acid
Also Known As: 4-(6-iodo-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzoic acid, 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid, 4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)benzoic acid, 4-(6-iodo-2-methyl-4-oxo-quinazolin-3-yl)benzoic Acid, F2135-1083
| Molecular Formula | C16H11IN2O3 |
|---|---|
| Molecular Weight | 405.98 g/mol |
| LogP | 2.99692 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.98145 |
| Heavy Atoms | 22 |
| Complexity | 946.00244 |
Chemical Identifiers
| CAS Number | 477552-43-5 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid (CAS 477552-43-5), with molecular formula C16H11IN2O3 and molecular weight 405.98 g/mol. IUPAC: 4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)benzoic acid.
Chemical Property Profile of 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid
Property Insights of 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid
The XLogP value of 2.99692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid has 1 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 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid?
The CAS number of 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid is 477552-43-5.
What is the molecular formula of 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid?
The molecular formula of 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid is C16H11IN2O3.
What is the molecular weight of 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid?
The molecular weight of 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid is 405.98 g/mol.
Where can I buy 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid?
You can request a quote for 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.