2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-
TL;DR: 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- (CAS 131394-19-9) is a chemical compound with molecular formula C4H5N5O3 and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitrotetrazol-2-yl)propan-2-one
Also Known As: 2-acetonyl-5-nitrotetrazole, 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-, 1-(5-nitrotetrazol-2-yl)propan-2-one, ZERO/000247, 1-(5-nitro-2H-tetrazol-2-yl)propan-2-one
| Molecular Formula | C4H5N5O3 |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | -0.8297 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.03925 |
| Heavy Atoms | 12 |
| Complexity | 318.24817 |
Chemical Identifiers
| CAS Number | 131394-19-9 |
|---|---|
| SMILES | CC(=O)CN1N=C(N=N1)[N+](=O)[O-] |
Product Overview
2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- (CAS 131394-19-9), with molecular formula C4H5N5O3 and molecular weight 171.04 g/mol. IUPAC: 1-(5-nitrotetrazol-2-yl)propan-2-one.
Chemical Property Profile of 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-
Property Insights of 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-
The XLogP value of -0.8297 indicates that 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-. Following Lipinski's Rule of Five, 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- has 0 hydrogen bond donor(s) and 6 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-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-?
The CAS number of 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- is 131394-19-9.
What is the molecular formula of 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-?
The molecular formula of 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- is C4H5N5O3.
What is the molecular weight of 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-?
The molecular weight of 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- is 171.04 g/mol.
Where can I buy 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-?
You can request a quote for 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.