2-(2H-Benzotriazol-2-yl)-1,4-benzenediol
TL;DR: 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol (CAS 31701-42-5) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzotriazol-2-yl)benzene-1,4-diol
Also Known As: (2H-Benzotriazol-2-yl)hydroquinone, 1,4-Benzenediol, 2-(2H-benzotriazol-2-yl)-, 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol, HYDROQUINONE, (2H-BENZOTRIAZOL-2-YL)-, 2-(2H-1,2,3-benzotriazol-2-yl)benzene-1,4-diol
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H9N3O2 |
| Molecular Weight | 227.06947 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.06947 Da |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
| SMILES | C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)O)O |
| InChIKey | JLQBRVRLOLTDGE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol
Property Insights of 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol
The XLogP value of 3.6 indicates that 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol. Following Lipinski's Rule of Five, 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol?
The CAS number of 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol is 31701-42-5.
What is the molecular formula of 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol?
The molecular formula of 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol is C12H9N3O2.
What is the molecular weight of 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol?
The molecular weight of 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol is 227.06947 g/mol.
Where can I buy 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol?
You can request a quote for 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol?
Yes, CoreyChem provides custom synthesis services for 2-(2H-Benzotriazol-2-yl)-1,4-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.