3-(o-Nitrobenzoyl)phenylbutazone
TL;DR: 3-(o-Nitrobenzoyl)phenylbutazone (CAS 58943-52-5) is a chemical compound with molecular formula C26H23N3O5 and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 2-nitrobenzoate
Also Known As: Sulfamethizole sodium, 3-(o-Nitrobenzoyl)phenylbutazone, 3-(o.Nitrobenzoil)fenibutazone, 3-(o.Nitrobenzoil)fenibutazone [Italian], 5-25-01-00044 (Beilstein Handbook Reference)
| Molecular Formula | C26H23N3O5 |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.16376 |
| Heavy Atoms | 34 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 58943-52-5 |
|---|---|
| SMILES | CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-] |
| InChIKey | UTQDKEDFFOPYBV-UHFFFAOYSA-N |
Product Overview
3-(o-Nitrobenzoyl)phenylbutazone (CAS 58943-52-5), with molecular formula C26H23N3O5 and molecular weight 457.16 g/mol. IUPAC: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 2-nitrobenzoate.
Chemical Property Profile of 3-(o-Nitrobenzoyl)phenylbutazone
Property Insights of 3-(o-Nitrobenzoyl)phenylbutazone
The XLogP value of 6.5 indicates that 3-(o-Nitrobenzoyl)phenylbutazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(o-Nitrobenzoyl)phenylbutazone. Following Lipinski's Rule of Five, 3-(o-Nitrobenzoyl)phenylbutazone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(o-Nitrobenzoyl)phenylbutazone?
The CAS number of 3-(o-Nitrobenzoyl)phenylbutazone is 58943-52-5.
What is the molecular formula of 3-(o-Nitrobenzoyl)phenylbutazone?
The molecular formula of 3-(o-Nitrobenzoyl)phenylbutazone is C26H23N3O5.
What is the molecular weight of 3-(o-Nitrobenzoyl)phenylbutazone?
The molecular weight of 3-(o-Nitrobenzoyl)phenylbutazone is 457.16 g/mol.
Where can I buy 3-(o-Nitrobenzoyl)phenylbutazone?
You can request a quote for 3-(o-Nitrobenzoyl)phenylbutazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(o-Nitrobenzoyl)phenylbutazone?
Yes, KEHONG BIO provides custom synthesis services for 3-(o-Nitrobenzoyl)phenylbutazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.