![3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride structure](/static/products/4576/4576-37-8.webp)
3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride
TL;DR: 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride (CAS 4576-37-8) is a chemical compound with molecular formula C12H16ClN5O2 and molecular weight 297.10 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;hydrochloride
Also Known As: (E)-En-yn-dicycloether, 3-(4,6-DIAMINO-2,2-DIMETHYL-2H-[1,3,5]TRIAZIN-1-YL)-BENZOIC ACID HYDROCHLORIDE, 3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzoic acid hydrochloride, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoic acid;hydrochloride, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoic acid hydrochloride
| Molecular Formula | C12H16ClN5O2 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 0.9921 |
| Topological Polar Surface Area | 117.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.09924 |
| Heavy Atoms | 20 |
| Complexity | 597.2654 |
Chemical Identifiers
| CAS Number | 4576-37-8 |
|---|---|
| SMILES | CC1(N=C(N=C(N1C2=CC=CC(=C2)C(=O)O)N)N)C.Cl |
Product Overview
3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride (CAS 4576-37-8), with molecular formula C12H16ClN5O2 and molecular weight 297.10 g/mol. IUPAC: 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoic acid;hydrochloride.
Chemical Property Profile of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride
Property Insights of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride
The XLogP value of 0.9921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride. The TPSA of 117.3 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 hydrochloride. Following Lipinski's Rule of Five, 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride has 3 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 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride?
The CAS number of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride is 4576-37-8.
What is the molecular formula of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride?
The molecular formula of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride is C12H16ClN5O2.
What is the molecular weight of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride?
The molecular weight of 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride is 297.10 g/mol.
Where can I buy 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride?
You can request a quote for 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride 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 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-YL)-benzoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.