4-Benzylideneaminoantipyrine
TL;DR: 4-Benzylideneaminoantipyrine (CAS 1351526-79-8) is a chemical compound with molecular formula C18H17N3O and molecular weight 291.13718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-Benzylideneaminoantipyrine, 4-(Benzylideneamino)antipyrine, ChemDiv1_019083, Antipyrine, 4-(benzylideneamino)-, 4-BENZYLIDENE AMINO ANTIPYRENE
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H17N3O |
| Molecular Weight | 291.13718 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.13718 Da |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3 |
| InChIKey | DOFPFUSLGOLLCL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzylideneaminoantipyrine
Property Insights of 4-Benzylideneaminoantipyrine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylideneaminoantipyrine. With a topological polar surface area (TPSA) of 35.9 Ų, 4-Benzylideneaminoantipyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylideneaminoantipyrine 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
What is the CAS number of 4-Benzylideneaminoantipyrine?
The CAS number of 4-Benzylideneaminoantipyrine is 1351526-79-8.
What is the molecular formula of 4-Benzylideneaminoantipyrine?
The molecular formula of 4-Benzylideneaminoantipyrine is C18H17N3O.
What is the molecular weight of 4-Benzylideneaminoantipyrine?
The molecular weight of 4-Benzylideneaminoantipyrine is 291.13718 g/mol.
Where can I buy 4-Benzylideneaminoantipyrine?
You can request a quote for 4-Benzylideneaminoantipyrine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzylideneaminoantipyrine?
Yes, CoreyChem provides custom synthesis services for 4-Benzylideneaminoantipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.