![3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid structure](/static/products/1774/17740-28-2.webp)
3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid
TL;DR: 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid (CAS 17740-28-2) is a chemical compound with molecular formula C12H15N5O2 and molecular weight 261.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoic acid
Also Known As: 4-Bromobenzalacetophenone, 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid, BAS 06502513, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoic acid, 3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzoic acid
| Molecular Formula | C12H15N5O2 |
|---|---|
| Molecular Weight | 261.12 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.1226 |
| Heavy Atoms | 19 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 17740-28-2 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC=CC(=C2)C(=O)O)N)N)C |
| InChIKey | RAMOOOOPHVOJPO-UHFFFAOYSA-N |
Product Overview
3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid (CAS 17740-28-2), with molecular formula C12H15N5O2 and molecular weight 261.12 g/mol. IUPAC: 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoic acid.
Chemical Property Profile of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid
Property Insights of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid
The XLogP value of -0.4 indicates that 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid. Following Lipinski's Rule of Five, 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid has 3 hydrogen bond donor(s) and 3 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-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid?
The CAS number of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid is 17740-28-2.
What is the molecular formula of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid?
The molecular formula of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid is C12H15N5O2.
What is the molecular weight of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid?
The molecular weight of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid is 261.12 g/mol.
Where can I buy 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid?
You can request a quote for 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-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-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.