![3-Methylbenzo[f]benzotriazole-4,9-dione structure](/static/products/500/500775-46-2.png)
3-Methylbenzo[f]benzotriazole-4,9-dione
TL;DR: 3-Methylbenzo[f]benzotriazole-4,9-dione (CAS 500775-46-2) is a chemical compound with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbenzo[f]benzotriazole-4,9-dione
Also Known As: 3-methylbenzo[f]benzotriazole-4,9-dione, 1-methyl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione, 1H-Naphtho[2,3-d]-1,2,3-triazole-4,9-dione, 1-methyl-
| Molecular Formula | C11H7N3O2 |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.05383 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 500775-46-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=N1 |
| InChIKey | QNWNDXIBGWRNOE-UHFFFAOYSA-N |
Product Overview
3-Methylbenzo[f]benzotriazole-4,9-dione (CAS 500775-46-2), with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol. IUPAC: 3-methylbenzo[f]benzotriazole-4,9-dione.
Chemical Property Profile of 3-Methylbenzo[f]benzotriazole-4,9-dione
Property Insights of 3-Methylbenzo[f]benzotriazole-4,9-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzo[f]benzotriazole-4,9-dione. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylbenzo[f]benzotriazole-4,9-dione. Following Lipinski's Rule of Five, 3-Methylbenzo[f]benzotriazole-4,9-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 3-Methylbenzo[f]benzotriazole-4,9-dione?
The CAS number of 3-Methylbenzo[f]benzotriazole-4,9-dione is 500775-46-2.
What is the molecular formula of 3-Methylbenzo[f]benzotriazole-4,9-dione?
The molecular formula of 3-Methylbenzo[f]benzotriazole-4,9-dione is C11H7N3O2.
What is the molecular weight of 3-Methylbenzo[f]benzotriazole-4,9-dione?
The molecular weight of 3-Methylbenzo[f]benzotriazole-4,9-dione is 213.05 g/mol.
Where can I buy 3-Methylbenzo[f]benzotriazole-4,9-dione?
You can request a quote for 3-Methylbenzo[f]benzotriazole-4,9-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenzo[f]benzotriazole-4,9-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzo[f]benzotriazole-4,9-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.