![2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid structure](/static/products/854/854357-53-2.png)
2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid
TL;DR: 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid (CAS 854357-53-2) is a chemical compound with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(butylamino)-2-oxoethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxoquinazoline-7-carboxylic acid
Also Known As: 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid, 2-(butylcarbamoylmethylsulfanyl)-3-(2,5-dimethylphenyl)-4-oxo-quinazoline-7-carboxylic Acid, 2-[2-(butylamino)-2-oxoethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxoquinazoline-7-carboxylic acid
| Molecular Formula | C23H25N3O4S |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 3.70914 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.1566 |
| Heavy Atoms | 31 |
| Complexity | 1203.3812 |
Chemical Identifiers
| CAS Number | 854357-53-2 |
|---|---|
| SMILES | CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1C3=C(C=CC(=C3)C)C |
Product Overview
2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid (CAS 854357-53-2), with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol. IUPAC: 2-[2-(butylamino)-2-oxoethyl]sulfanyl-3-(2,5-dimethylphenyl)-4-oxoquinazoline-7-carboxylic acid.
Chemical Property Profile of 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid
Property Insights of 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid
The XLogP value of 3.70914 indicates that 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid. Following Lipinski's Rule of Five, 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid has 2 hydrogen bond donor(s) and 5 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 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid?
The CAS number of 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid is 854357-53-2.
What is the molecular formula of 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid?
The molecular formula of 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid is C23H25N3O4S.
What is the molecular weight of 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid?
The molecular weight of 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid is 439.16 g/mol.
Where can I buy 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid?
You can request a quote for 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(Butylamino)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-3,4-dihydro-4-oxo-7-quinazolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.