2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
TL;DR: 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid (CAS 1133-78-4) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-4-carboxylic acid
Also Known As: 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid, 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-4-carboxylic acid, 1,2,5,6,7,8-Hexahydro-2-oxo-4-quinazolinecarboxylic acid, 4-Quinazolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo-, 2-hydroxy-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 0.3469 |
| Topological Polar Surface Area | 83.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 436.17346 |
Chemical Identifiers
| CAS Number | 1133-78-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NC(=O)N2)C(=O)O |
Product Overview
2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid (CAS 1133-78-4), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-4-carboxylic acid.
Chemical Property Profile of 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
Property Insights of 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
The XLogP value of 0.3469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid. The TPSA of 83.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid. Following Lipinski's Rule of Five, 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-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 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid?
The CAS number of 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid is 1133-78-4.
What is the molecular formula of 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid?
The molecular formula of 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid is C9H10N2O3.
What is the molecular weight of 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid?
The molecular weight of 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid is 194.07 g/mol.
Where can I buy 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid?
You can request a quote for 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.