1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid
TL;DR: 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid (CAS 34330-02-4) is a chemical compound with molecular formula C9H6N2O3S and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2-sulfanylidene-1H-quinazoline-6-carboxylic acid
Also Known As: EINECS 251-941-0, 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid, 4-oxo-2-sulfanylidene-1H-quinazoline-6-carboxylic acid, 4-Oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid, 4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
| Molecular Formula | C9H6N2O3S |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 1.28389 |
| Topological Polar Surface Area | 85.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00992 |
| Heavy Atoms | 15 |
| Complexity | 656.1904 |
Chemical Identifiers
| CAS Number | 34330-02-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)C(=O)NC(=S)N2 |
Product Overview
1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid (CAS 34330-02-4), with molecular formula C9H6N2O3S and molecular weight 222.01 g/mol. IUPAC: 4-oxo-2-sulfanylidene-1H-quinazoline-6-carboxylic acid.
Chemical Property Profile of 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid
Property Insights of 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid
The XLogP value of 1.28389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid. The TPSA of 85.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid has 3 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 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid?
The CAS number of 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid is 34330-02-4.
What is the molecular formula of 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid?
The molecular formula of 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid is C9H6N2O3S.
What is the molecular weight of 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid?
The molecular weight of 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid is 222.01 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid?
You can request a quote for 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.