![1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone structure](/static/products/4780/478041-21-3.webp)
1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone
TL;DR: 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone (CAS 478041-21-3) is a chemical compound with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-nitrotriazol-1-yl)phenyl]ethanone
Also Known As: 1-[4-(4-nitrotriazol-1-yl)phenyl]ethanone, 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone, 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]ethan-1-one, 3R-0851, 1-[4-(4-nitro-1,2,3-triazol-1-yl)phenyl]ethanone
| Molecular Formula | C10H8N4O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 1.3781 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.05965 |
| Heavy Atoms | 17 |
| Complexity | 573.4919 |
Chemical Identifiers
| CAS Number | 478041-21-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C=C(N=N2)[N+](=O)[O-] |
Product Overview
1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone (CAS 478041-21-3), with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol. IUPAC: 1-[4-(4-nitrotriazol-1-yl)phenyl]ethanone.
Chemical Property Profile of 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone
Property Insights of 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone
The XLogP value of 1.3781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone. Following Lipinski's Rule of Five, 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone has 0 hydrogen bond donor(s) and 5 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-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone?
The CAS number of 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone is 478041-21-3.
What is the molecular formula of 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone?
The molecular formula of 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone is C10H8N4O3.
What is the molecular weight of 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone?
The molecular weight of 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone is 232.06 g/mol.
Where can I buy 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone?
You can request a quote for 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-nitro-1H-1,2,3-triazol-1-yl)phenyl]-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.