2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid
TL;DR: 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid (CAS 324778-48-5) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-piperidin-1-ylpyrimidin-4-yl)amino]benzoic acid
Also Known As: 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid, 2-[(2-piperidylpyrimidin-4-yl)amino]benzoic acid, 2-[[2-(1-piperidyl)pyrimidin-4-yl]amino]benzoic Acid, 2-[(2-piperidin-1-ylpyrimidin-4-yl)amino]benzoic acid, 2-{[2-(1-piperidinyl)-4-pyrimidinyl]amino}benzoic acid
| Molecular Formula | C16H18N4O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 2.9087 |
| Topological Polar Surface Area | 78.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.14297 |
| Heavy Atoms | 22 |
| Complexity | 668.7003 |
Chemical Identifiers
| CAS Number | 324778-48-5 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O |
Product Overview
2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid (CAS 324778-48-5), with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol. IUPAC: 2-[(2-piperidin-1-ylpyrimidin-4-yl)amino]benzoic acid.
Chemical Property Profile of 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid
Property Insights of 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid
The XLogP value of 2.9087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid. The TPSA of 78.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic 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 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid?
The CAS number of 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid is 324778-48-5.
What is the molecular formula of 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid?
The molecular formula of 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid is C16H18N4O2.
What is the molecular weight of 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid?
The molecular weight of 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid is 298.14 g/mol.
Where can I buy 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid?
You can request a quote for 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(Piperidin-1-yl)pyrimidin-4-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.