2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine
TL;DR: 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine (CAS 58349-96-5) is a chemical compound with molecular formula C10H6Cl2N4O2 and molecular weight 283.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid
Also Known As: berberine, 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine, 3-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]benzoic acid, 2-(aminomethyl)-4-bromophenol, 3-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)benzoic acid
| Molecular Formula | C10H6Cl2N4O2 |
|---|---|
| Molecular Weight | 283.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.9868 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 58349-96-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)Cl)C(=O)O |
| InChIKey | WQKKRBIBVKBSPV-UHFFFAOYSA-N |
Product Overview
2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine (CAS 58349-96-5), with molecular formula C10H6Cl2N4O2 and molecular weight 283.99 g/mol. IUPAC: 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid.
Chemical Property Profile of 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine
Property Insights of 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine
The XLogP value of 3.3 indicates that 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine. Following Lipinski's Rule of Five, 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine has 2 hydrogen bond donor(s) and 6 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-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine?
The CAS number of 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine is 58349-96-5.
What is the molecular formula of 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine?
The molecular formula of 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine is C10H6Cl2N4O2.
What is the molecular weight of 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine?
The molecular weight of 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine is 283.99 g/mol.
Where can I buy 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine?
You can request a quote for 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Carboxyanilino)-4,6-dichloro-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.