4- antipyrine
TL;DR: 4- antipyrine (CAS 61098-04-2) is a chemical compound with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4- antipyrine, ChemDiv1_019532, BAS 00404706, 4-(4-CHLOROBENZYLIDENEAMINO)ANTIPYRINE, 3H-Pyrazol-3-one, 4-[[(4-chlorophenyl)methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
| Molecular Formula | C18H16ClN3O |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.09818 |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 61098-04-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)Cl |
| InChIKey | JVBNUGGDDDTNSS-UHFFFAOYSA-N |
Product Overview
4- antipyrine (CAS 61098-04-2), with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol. IUPAC: 4-[(4-chlorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4- antipyrine
Property Insights of 4- antipyrine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4- antipyrine. With a topological polar surface area (TPSA) of 35.9 Ų, 4- antipyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4- antipyrine has 0 hydrogen bond donor(s) and 3 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 61098-04-2.
What is the molecular formula of 4- antipyrine?
The molecular formula of 4- antipyrine is C18H16ClN3O.
What is the molecular weight of 4- antipyrine?
The molecular weight of 4- antipyrine is 325.10 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.