3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
TL;DR: 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid (CAS 847783-61-3) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
Also Known As: 3-METHYL-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBOXYLIC ACID, 3-methyl-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid, 3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid, 2-mercapto-3-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid, 3-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
| Molecular Formula | C10H8N2O3S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 1.29429 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.02556 |
| Heavy Atoms | 16 |
| Complexity | 699.25684 |
Chemical Identifiers
| CAS Number | 847783-61-3 |
|---|---|
| SMILES | CN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S |
Product Overview
3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid (CAS 847783-61-3), with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol. IUPAC: 3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid.
Chemical Property Profile of 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Property Insights of 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
The XLogP value of 1.29429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid. Following Lipinski's Rule of Five, 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid has 2 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 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
The CAS number of 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid is 847783-61-3.
What is the molecular formula of 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
The molecular formula of 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid is C10H8N2O3S.
What is the molecular weight of 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
The molecular weight of 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid is 236.03 g/mol.
Where can I buy 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
You can request a quote for 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.