Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone
TL;DR: Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone (CAS 332021-30-4) is a chemical compound with molecular formula C13H7Cl2N3O and molecular weight 290.9966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzotriazol-1-yl-(3,4-dichlorophenyl)methanone
Also Known As: BAS 00804343, benzotriazol-1-yl-(3,4-dichlorophenyl)methanone, benzotriazolyl 3,4-dichlorophenyl ketone, 1H-benzotriazol-1-yl(3,4-dichlorophenyl)methanone, 1-(3,4-dichlorobenzoyl)-1H-1,2,3-benzotriazole
Technical Specifications
| Molecular Formula | C13H7Cl2N3O |
| Molecular Weight | 290.9966 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.9966 Da |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | YBSHRWLGRKVOLP-UHFFFAOYSA-N |
Chemical Property Profile of Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone
Property Insights of Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone
The XLogP value of 3.9 indicates that Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone 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
What is the CAS number of Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone?
The CAS number of Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone is 332021-30-4.
What is the molecular formula of Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone?
The molecular formula of Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone is C13H7Cl2N3O.
What is the molecular weight of Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone?
The molecular weight of Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone is 290.9966 g/mol.
Where can I buy Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone?
You can request a quote for Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone?
Yes, CoreyChem provides custom synthesis services for Benzotriazol-1-yl-(3,4-dichlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.