N-pyrimidinobenzamide-2-carboxylic acid
TL;DR: N-pyrimidinobenzamide-2-carboxylic acid (CAS 20809-26-1) is a chemical compound with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyrimidin-2-ylcarbamoyl)benzoic acid
Also Known As: NPBCA, 2-(pyrimidin-2-ylcarbamoyl)benzoic acid, N-Pyrimidinobenzamide-2-carboxylic acid, N-Pyrimidin-2-yl-phthalamic acid, BAS 02106550
| Molecular Formula | C12H9N3O3 |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.06439 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 20809-26-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=NC=CC=N2)C(=O)O |
| InChIKey | WZPJLRNYHFVOJY-UHFFFAOYSA-N |
Product Overview
N-pyrimidinobenzamide-2-carboxylic acid (CAS 20809-26-1), with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol. IUPAC: 2-(pyrimidin-2-ylcarbamoyl)benzoic acid.
Chemical Property Profile of N-pyrimidinobenzamide-2-carboxylic acid
Property Insights of N-pyrimidinobenzamide-2-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-pyrimidinobenzamide-2-carboxylic acid. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-pyrimidinobenzamide-2-carboxylic acid. Following Lipinski's Rule of Five, N-pyrimidinobenzamide-2-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 N-pyrimidinobenzamide-2-carboxylic acid?
The CAS number of N-pyrimidinobenzamide-2-carboxylic acid is 20809-26-1.
What is the molecular formula of N-pyrimidinobenzamide-2-carboxylic acid?
The molecular formula of N-pyrimidinobenzamide-2-carboxylic acid is C12H9N3O3.
What is the molecular weight of N-pyrimidinobenzamide-2-carboxylic acid?
The molecular weight of N-pyrimidinobenzamide-2-carboxylic acid is 243.06 g/mol.
Where can I buy N-pyrimidinobenzamide-2-carboxylic acid?
You can request a quote for N-pyrimidinobenzamide-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 N-pyrimidinobenzamide-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for N-pyrimidinobenzamide-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.