1-(Tetrazol-1-yl)propan-2-one
TL;DR: 1-(Tetrazol-1-yl)propan-2-one (CAS 83485-69-2) is a chemical compound with molecular formula C4H6N4O and molecular weight 126.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tetrazol-1-yl)propan-2-one
Also Known As: 1-(tetrazol-1-yl)propan-2-one, 1-tetrazol-1-ylpropan-2-one, 1-(1{H}-tetrazol-1-yl)acetone, 1-(1,2,3,4-tetraazolyl)acetone, ZERO/008021
| Molecular Formula | C4H6N4O |
|---|---|
| Molecular Weight | 126.05 g/mol |
| LogP | -0.7379 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.05416 |
| Heavy Atoms | 9 |
| Complexity | 192.34238 |
Chemical Identifiers
| CAS Number | 83485-69-2 |
|---|---|
| SMILES | CC(=O)CN1C=NN=N1 |
Product Overview
1-(Tetrazol-1-yl)propan-2-one (CAS 83485-69-2), with molecular formula C4H6N4O and molecular weight 126.05 g/mol. IUPAC: 1-(tetrazol-1-yl)propan-2-one.
Chemical Property Profile of 1-(Tetrazol-1-yl)propan-2-one
Property Insights of 1-(Tetrazol-1-yl)propan-2-one
The XLogP value of -0.7379 indicates that 1-(Tetrazol-1-yl)propan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Tetrazol-1-yl)propan-2-one. Following Lipinski's Rule of Five, 1-(Tetrazol-1-yl)propan-2-one 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-(Tetrazol-1-yl)propan-2-one?
The CAS number of 1-(Tetrazol-1-yl)propan-2-one is 83485-69-2.
What is the molecular formula of 1-(Tetrazol-1-yl)propan-2-one?
The molecular formula of 1-(Tetrazol-1-yl)propan-2-one is C4H6N4O.
What is the molecular weight of 1-(Tetrazol-1-yl)propan-2-one?
The molecular weight of 1-(Tetrazol-1-yl)propan-2-one is 126.05 g/mol.
Where can I buy 1-(Tetrazol-1-yl)propan-2-one?
You can request a quote for 1-(Tetrazol-1-yl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Tetrazol-1-yl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Tetrazol-1-yl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.