4- antipyrine
TL;DR: 4- antipyrine (CAS 1029698-58-5) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[(5-nitrofuran-2-yl)methylideneamino]-2-phenylpyrazol-3-one
Also Known As: 4- antipyrine, 4-(5-Nitrofurfurylideneamino)antipyrine, BAS 00379534, A1798/0076089, (4E)-1,5-Dimethyl-4-[(5-nitrofuran-2-yl)methyleneamino]-2-phenyl-1H-pyrazol- 3(2H)-one
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 1029698-58-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)[N+](=O)[O-] |
| InChIKey | YVLDMVLGMJEZAQ-UHFFFAOYSA-N |
Product Overview
4- antipyrine (CAS 1029698-58-5), with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol. IUPAC: 1,5-dimethyl-4-[(5-nitrofuran-2-yl)methylideneamino]-2-phenylpyrazol-3-one.
Chemical Property Profile of 4- antipyrine
Property Insights of 4- antipyrine
The XLogP value of 3.1 indicates that 4- antipyrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4- antipyrine. Following Lipinski's Rule of Five, 4- antipyrine 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 4- antipyrine?
The CAS number of 4- antipyrine is 1029698-58-5.
What is the molecular formula of 4- antipyrine?
The molecular formula of 4- antipyrine is C16H14N4O4.
What is the molecular weight of 4- antipyrine?
The molecular weight of 4- antipyrine is 326.10 g/mol.
Where can I buy 4- antipyrine?
You can request a quote for 4- antipyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4- antipyrine?
Yes, KEHONG BIO provides custom synthesis services for 4- antipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.