2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol
TL;DR: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol (CAS 36325-72-1) is a chemical compound with molecular formula C13H10N4O3 and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-2-yl)-4-methyl-6-nitrophenol
Also Known As: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol, 2-(benzotriazol-2-yl)-4-methyl-6-nitrophenol, SFTUROBOXVSXCX-UHFFFAOYSA-, 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methyl-6-nitrophenol, 2-benzotriazol-2-yl-4-methyl-6-nitro-phenol
| Molecular Formula | C13H10N4O3 |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 2.34272 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0753 |
| Heavy Atoms | 20 |
| Complexity | 792.59436 |
Chemical Identifiers
| CAS Number | 36325-72-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N2N=C3C=CC=CC3=N2 |
Product Overview
2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol (CAS 36325-72-1), with molecular formula C13H10N4O3 and molecular weight 270.08 g/mol. IUPAC: 2-(benzotriazol-2-yl)-4-methyl-6-nitrophenol.
Chemical Property Profile of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol
Property Insights of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol
The XLogP value of 2.34272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol. Following Lipinski's Rule of Five, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol has 1 hydrogen bond donor(s) and 5 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-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol?
The CAS number of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol is 36325-72-1.
What is the molecular formula of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol?
The molecular formula of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol is C13H10N4O3.
What is the molecular weight of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol?
The molecular weight of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol is 270.08 g/mol.
Where can I buy 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol?
You can request a quote for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.