![1-[4-(1H-tetrazol-1-yl)phenyl]ethanone structure](/static/products/1256/125620-13-5.webp)
1-[4-(1H-tetrazol-1-yl)phenyl]ethanone
TL;DR: 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone (CAS 125620-13-5) is a chemical compound with molecular formula C9H8N4O and molecular weight 188.06981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(tetrazol-1-yl)phenyl]ethanone
Also Known As: 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone, 1-[4-(1H-tetraazol-1-yl)phenyl]ethanone, 1-(4-Tetrazol-1-yl-phenyl)-ethanone, 1-[4-(tetrazol-1-yl)phenyl]ethanone, 1-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethan-1-one
Technical Specifications
| Molecular Formula | C9H8N4O |
| Molecular Weight | 188.06981 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.06981 Da |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)N2C=NN=N2 |
| InChIKey | QRBRBXFYBWGBPP-UHFFFAOYSA-N |
Chemical Property Profile of 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone
Property Insights of 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone. Following Lipinski's Rule of Five, 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone 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
What is the CAS number of 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone?
The CAS number of 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone is 125620-13-5.
What is the molecular formula of 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone?
The molecular formula of 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone is C9H8N4O.
What is the molecular weight of 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone?
The molecular weight of 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone is 188.06981 g/mol.
Where can I buy 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone?
You can request a quote for 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone?
Yes, CoreyChem provides custom synthesis services for 1-[4-(1H-tetrazol-1-yl)phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.