Antipyrine, 4-sec-butyl-
TL;DR: Antipyrine, 4-sec-butyl- (CAS 96974-48-0) is a chemical compound with molecular formula C15H20N2O and molecular weight 244.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butan-2-yl-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-sec-Butylantipyrine, ANTIPYRINE, 4-sec-BUTYL-, 1-Phenyl-2,3-dimethyl-4-sec-butyl-5-pyrazolon, 4-24-00-00148 (Beilstein Handbook Reference), 4-butan-2-yl-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C15H20N2O |
|---|---|
| Molecular Weight | 244.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.15756 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 96974-48-0 |
|---|---|
| SMILES | CCC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C |
| InChIKey | CYGFOANTEHDZLD-UHFFFAOYSA-N |
Product Overview
Antipyrine, 4-sec-butyl- (CAS 96974-48-0), with molecular formula C15H20N2O and molecular weight 244.16 g/mol. IUPAC: 4-butan-2-yl-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of Antipyrine, 4-sec-butyl-
Property Insights of Antipyrine, 4-sec-butyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antipyrine, 4-sec-butyl-. With a topological polar surface area (TPSA) of 23.6 Ų, Antipyrine, 4-sec-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Antipyrine, 4-sec-butyl- has 0 hydrogen bond donor(s) and 2 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 Antipyrine, 4-sec-butyl-?
The CAS number of Antipyrine, 4-sec-butyl- is 96974-48-0.
What is the molecular formula of Antipyrine, 4-sec-butyl-?
The molecular formula of Antipyrine, 4-sec-butyl- is C15H20N2O.
What is the molecular weight of Antipyrine, 4-sec-butyl-?
The molecular weight of Antipyrine, 4-sec-butyl- is 244.16 g/mol.
Where can I buy Antipyrine, 4-sec-butyl-?
You can request a quote for Antipyrine, 4-sec-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antipyrine, 4-sec-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Antipyrine, 4-sec-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.