2,5,6-Trimethylbenzotriazole-4,7-dione
TL;DR: 2,5,6-Trimethylbenzotriazole-4,7-dione (CAS 62375-34-2) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,6-trimethylbenzotriazole-4,7-dione
Also Known As: 2,5,6-trimethylbenzotriazole-4,7-dione, 2,5,6-Trimethyl-2H-benzotriazole-4,7-dione, 2,5,6-Trimethyl-2H-1,2,3-benzotriazole-4,7-dione, 2,5,6-trimethyl-2H-benzo[1,2,3]triazole-4,7-dione, 2H-1,2,3-Benzotriazole-4,7-dione, 2,5,6-trimethyl-
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 62375-34-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=NN(N=C2C1=O)C)C |
| InChIKey | BEPNJPZENSWTLL-UHFFFAOYSA-N |
Product Overview
2,5,6-Trimethylbenzotriazole-4,7-dione (CAS 62375-34-2), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 2,5,6-trimethylbenzotriazole-4,7-dione.
Chemical Property Profile of 2,5,6-Trimethylbenzotriazole-4,7-dione
Property Insights of 2,5,6-Trimethylbenzotriazole-4,7-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5,6-Trimethylbenzotriazole-4,7-dione. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5,6-Trimethylbenzotriazole-4,7-dione. Following Lipinski's Rule of Five, 2,5,6-Trimethylbenzotriazole-4,7-dione has 0 hydrogen bond donor(s) and 4 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 2,5,6-Trimethylbenzotriazole-4,7-dione?
The CAS number of 2,5,6-Trimethylbenzotriazole-4,7-dione is 62375-34-2.
What is the molecular formula of 2,5,6-Trimethylbenzotriazole-4,7-dione?
The molecular formula of 2,5,6-Trimethylbenzotriazole-4,7-dione is C9H9N3O2.
What is the molecular weight of 2,5,6-Trimethylbenzotriazole-4,7-dione?
The molecular weight of 2,5,6-Trimethylbenzotriazole-4,7-dione is 191.07 g/mol.
Where can I buy 2,5,6-Trimethylbenzotriazole-4,7-dione?
You can request a quote for 2,5,6-Trimethylbenzotriazole-4,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,6-Trimethylbenzotriazole-4,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,5,6-Trimethylbenzotriazole-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.