![4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid structure](/static/products/4514/451466-07-2.webp)
4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid
TL;DR: 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid (CAS 451466-07-2) is a chemical compound with molecular formula C19H17N3O4S and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]benzoic acid
Also Known As: 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid, 4-[[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]benzoic Acid, 4-{[3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)propanamido]methyl}benzoic acid, F0916-6172, 4-((3-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)propanamido)methyl)benzoic acid
| Molecular Formula | C19H17N3O4S |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 2.46379 |
| Topological Polar Surface Area | 104.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.09396 |
| Heavy Atoms | 27 |
| Complexity | 1116.2432 |
Chemical Identifiers
| CAS Number | 451466-07-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid (CAS 451466-07-2), with molecular formula C19H17N3O4S and molecular weight 383.09 g/mol. IUPAC: 4-[[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]benzoic acid.
Chemical Property Profile of 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid
Property Insights of 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid
The XLogP value of 2.46379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid. The TPSA of 104.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid has 3 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 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid?
The CAS number of 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid is 451466-07-2.
What is the molecular formula of 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid?
The molecular formula of 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid is C19H17N3O4S.
What is the molecular weight of 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid?
The molecular weight of 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid is 383.09 g/mol.
Where can I buy 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid?
You can request a quote for 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)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-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]amino}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.