6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
TL;DR: 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS 439095-04-2) is a chemical compound with molecular formula C11H9ClN2O4 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chloro-2-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
Also Known As: 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid, 1T-0229, chlorohydroxyphenyloxohexahydropyrimidinecarboxylicacid, 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, 4-(5-chloro-2-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
| Molecular Formula | C11H9ClN2O4 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 1.368 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0251 |
| Heavy Atoms | 18 |
| Complexity | 555.97424 |
Chemical Identifiers
| CAS Number | 439095-04-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C2C=C(NC(=O)N2)C(=O)O)O |
Product Overview
6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS 439095-04-2), with molecular formula C11H9ClN2O4 and molecular weight 268.03 g/mol. IUPAC: 4-(5-chloro-2-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
Property Insights of 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
The XLogP value of 1.368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid has 4 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 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid?
The CAS number of 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid is 439095-04-2.
What is the molecular formula of 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid?
The molecular formula of 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid is C11H9ClN2O4.
What is the molecular weight of 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid?
The molecular weight of 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid is 268.03 g/mol.
Where can I buy 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid?
You can request a quote for 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.