2-(2-Oxopropyl)-2H-tetrazole
TL;DR: 2-(2-Oxopropyl)-2H-tetrazole (CAS 13616-38-1) 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-2-yl)propan-2-one
Also Known As: 2-acetonyltetrazole, 2-(2-Oxopropyl)-2H-tetrazole, 1-(tetrazol-2-yl)propan-2-one, (2H-Tetrazol-2-yl)acetone, 1-(2{H}-tetrazol-2-yl)acetone
| 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 | 13616-38-1 |
|---|---|
| SMILES | CC(=O)CN1N=CN=N1 |
Product Overview
2-(2-Oxopropyl)-2H-tetrazole (CAS 13616-38-1), with molecular formula C4H6N4O and molecular weight 126.05 g/mol. IUPAC: 1-(tetrazol-2-yl)propan-2-one.
Chemical Property Profile of 2-(2-Oxopropyl)-2H-tetrazole
Property Insights of 2-(2-Oxopropyl)-2H-tetrazole
The XLogP value of -0.7379 indicates that 2-(2-Oxopropyl)-2H-tetrazole 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 2-(2-Oxopropyl)-2H-tetrazole. Following Lipinski's Rule of Five, 2-(2-Oxopropyl)-2H-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 2-(2-Oxopropyl)-2H-tetrazole?
The CAS number of 2-(2-Oxopropyl)-2H-tetrazole is 13616-38-1.
What is the molecular formula of 2-(2-Oxopropyl)-2H-tetrazole?
The molecular formula of 2-(2-Oxopropyl)-2H-tetrazole is C4H6N4O.
What is the molecular weight of 2-(2-Oxopropyl)-2H-tetrazole?
The molecular weight of 2-(2-Oxopropyl)-2H-tetrazole is 126.05 g/mol.
Where can I buy 2-(2-Oxopropyl)-2H-tetrazole?
You can request a quote for 2-(2-Oxopropyl)-2H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Oxopropyl)-2H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Oxopropyl)-2H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.