![3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/7145/7145-88-2.webp)
3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 7145-88-2) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-(pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, NCI60_004107, 2-(pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 1H-2-Benzopyran-5-carboxylicacid,octahydro-1-oxo, 3-((2-pyrimidinylamino)carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 7145-88-2 |
|---|---|
| SMILES | C1=CN=C(N=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3 |
| InChIKey | QMDVGAHLIPJCNF-UHFFFAOYSA-N |
Product Overview
3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 7145-88-2), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: 3-(pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of -0.9 indicates that 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 7145-88-2.
What is the molecular formula of 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C12H11N3O4.
What is the molecular weight of 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 261.07 g/mol.
Where can I buy 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-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-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.