3-(Pyrimidin-2-yloxy)benzoic acid
TL;DR: 3-(Pyrimidin-2-yloxy)benzoic acid (CAS 5871-19-2) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrimidin-2-yloxybenzoic acid
Also Known As: 3-(Pyrimidin-2-yloxy)benzoic acid, 3-(2-pyrimidinyloxy)benzenecarboxylic acid, 3-pyrimidin-2-yloxybenzoic acid, 1,4-diisocyanobenzene, 3-(2-Pyrimidinyloxy)benzoic acid
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.9671 |
| Topological Polar Surface Area | 72.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 499.59268 |
Chemical Identifiers
| CAS Number | 5871-19-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=NC=CC=N2)C(=O)O |
Product Overview
3-(Pyrimidin-2-yloxy)benzoic acid (CAS 5871-19-2), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: 3-pyrimidin-2-yloxybenzoic acid.
Chemical Property Profile of 3-(Pyrimidin-2-yloxy)benzoic acid
Property Insights of 3-(Pyrimidin-2-yloxy)benzoic acid
The XLogP value of 1.9671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyrimidin-2-yloxy)benzoic acid. The TPSA of 72.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Pyrimidin-2-yloxy)benzoic acid. Following Lipinski's Rule of Five, 3-(Pyrimidin-2-yloxy)benzoic acid has 1 hydrogen bond donor(s) and 4 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-yloxy)benzoic acid?
The CAS number of 3-(Pyrimidin-2-yloxy)benzoic acid is 5871-19-2.
What is the molecular formula of 3-(Pyrimidin-2-yloxy)benzoic acid?
The molecular formula of 3-(Pyrimidin-2-yloxy)benzoic acid is C11H8N2O3.
What is the molecular weight of 3-(Pyrimidin-2-yloxy)benzoic acid?
The molecular weight of 3-(Pyrimidin-2-yloxy)benzoic acid is 216.05 g/mol.
Where can I buy 3-(Pyrimidin-2-yloxy)benzoic acid?
You can request a quote for 3-(Pyrimidin-2-yloxy)benzoic 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-yloxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrimidin-2-yloxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.