![4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid structure](/static/products/944/944644-34-2.png)
4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid
TL;DR: 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid (CAS 944644-34-2) is a chemical compound with molecular formula C18H22N6O2 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid
Also Known As: 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic Acid, 4-{[4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid, 4-{[4,6-BIS(PYRROLIDIN-1-YL)-1,3,5-TRIAZIN-2-YL]AMINO}BENZOIC ACID
| Molecular Formula | C18H22N6O2 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 2.5138 |
| Topological Polar Surface Area | 94.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.18042 |
| Heavy Atoms | 26 |
| Complexity | 748.5184 |
Chemical Identifiers
| CAS Number | 944644-34-2 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)N4CCCC4 |
Product Overview
4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid (CAS 944644-34-2), with molecular formula C18H22N6O2 and molecular weight 354.18 g/mol. IUPAC: 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid.
Chemical Property Profile of 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid
Property Insights of 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid
The XLogP value of 2.5138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid. The TPSA of 94.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid has 2 hydrogen bond donor(s) and 7 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 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid?
The CAS number of 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid is 944644-34-2.
What is the molecular formula of 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid?
The molecular formula of 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid is C18H22N6O2.
What is the molecular weight of 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid?
The molecular weight of 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid is 354.18 g/mol.
Where can I buy 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid?
You can request a quote for 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-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 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.