2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one
TL;DR: 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one (CAS 97507-52-3) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-6,7-dihydro-5H-benzotriazol-4-one
Also Known As: 2-phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one, 2-phenyl-6,7-dihydro-5H-benzotriazol-4-one, 2-Phenyl-2,5,6,7-tetrahydro-benzotriazol-4-one, 1850AJ, BAS 00318792
| Molecular Formula | C12H11N3O |
|---|---|
| Molecular Weight | 213.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.09021 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 97507-52-3 |
|---|---|
| SMILES | C1CC2=NN(N=C2C(=O)C1)C3=CC=CC=C3 |
| InChIKey | VQHCVLOZJJUGAQ-UHFFFAOYSA-N |
Product Overview
2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one (CAS 97507-52-3), with molecular formula C12H11N3O and molecular weight 213.09 g/mol. IUPAC: 2-phenyl-6,7-dihydro-5H-benzotriazol-4-one.
Chemical Property Profile of 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one
Property Insights of 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one. With a topological polar surface area (TPSA) of 47.8 Ų, 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one has 0 hydrogen bond donor(s) and 3 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-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one?
The CAS number of 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one is 97507-52-3.
What is the molecular formula of 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one?
The molecular formula of 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one is C12H11N3O.
What is the molecular weight of 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one?
The molecular weight of 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one is 213.09 g/mol.
Where can I buy 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one?
You can request a quote for 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.