1-Acetyl-1H-tetrazole
TL;DR: 1-Acetyl-1H-tetrazole (CAS 21565-41-3) is a chemical compound with molecular formula C3H4N4O and molecular weight 112.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tetrazol-1-yl)ethanone
Also Known As: 1-Acetyl-1H-tetrazole, N-acetyl-tetrazol, 1-(tetrazol-1-yl)ethanone, N-acetyl-1-tetrazole-1,2,3,4, 1-(1H-Tetrazol-1-yl)ethan-1-one
| Molecular Formula | C3H4N4O |
|---|---|
| Molecular Weight | 112.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.03851 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 21565-41-3 |
|---|---|
| SMILES | CC(=O)N1C=NN=N1 |
| InChIKey | KMCGTSTVKNCNQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-1H-tetrazole (CAS 21565-41-3), with molecular formula C3H4N4O and molecular weight 112.04 g/mol. IUPAC: 1-(tetrazol-1-yl)ethanone.
Chemical Property Profile of 1-Acetyl-1H-tetrazole
Property Insights of 1-Acetyl-1H-tetrazole
The XLogP value of -0.6 indicates that 1-Acetyl-1H-tetrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-1H-tetrazole. Following Lipinski's Rule of Five, 1-Acetyl-1H-tetrazole 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
Frequently Asked Questions
What is the CAS number of 1-Acetyl-1H-tetrazole?
The CAS number of 1-Acetyl-1H-tetrazole is 21565-41-3.
What is the molecular formula of 1-Acetyl-1H-tetrazole?
The molecular formula of 1-Acetyl-1H-tetrazole is C3H4N4O.
What is the molecular weight of 1-Acetyl-1H-tetrazole?
The molecular weight of 1-Acetyl-1H-tetrazole is 112.04 g/mol.
Where can I buy 1-Acetyl-1H-tetrazole?
You can request a quote for 1-Acetyl-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.