![3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid structure](/static/products/4336/433698-74-9.webp)
3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid
TL;DR: 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid (CAS 433698-74-9) is a chemical compound with molecular formula C20H20N6O2 and molecular weight 376.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid
Also Known As: ChemDiv3_005347, IDI1_023257, 3-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid, AN-648/25106044, BRD-K85128079-001-01-6
| Molecular Formula | C20H20N6O2 |
|---|---|
| Molecular Weight | 376.16 g/mol |
| LogP | 3.6572 |
| Topological Polar Surface Area | 103.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.16476 |
| Heavy Atoms | 28 |
| Complexity | 973.43976 |
Chemical Identifiers
| CAS Number | 433698-74-9 |
|---|---|
| SMILES | C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4 |
Product Overview
3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid (CAS 433698-74-9), with molecular formula C20H20N6O2 and molecular weight 376.16 g/mol. IUPAC: 3-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid.
Chemical Property Profile of 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid
Property Insights of 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid
The XLogP value of 3.6572 indicates that 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid has 3 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 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
The CAS number of 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid is 433698-74-9.
What is the molecular formula of 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
The molecular formula of 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid is C20H20N6O2.
What is the molecular weight of 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
The molecular weight of 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid is 376.16 g/mol.
Where can I buy 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
You can request a quote for 3-[(4-Anilino-6-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 3-[(4-Anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Anilino-6-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.