ChemDiv1_019848
TL;DR: ChemDiv1_019848 (CAS 72425-87-7) is a chemical compound with molecular formula C18H16FN3O and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: ChemDiv1_019848, BAS 00134238, AB00709401-01, 4-{[(E)-(4-fluorophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[(4-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C18H16FN3O |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.12775 |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 72425-87-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)F |
| InChIKey | GNXFUPSRILHIJU-UHFFFAOYSA-N |
Product Overview
ChemDiv1_019848 (CAS 72425-87-7), with molecular formula C18H16FN3O and molecular weight 309.13 g/mol. IUPAC: 4-[(4-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of ChemDiv1_019848
Property Insights of ChemDiv1_019848
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_019848. With a topological polar surface area (TPSA) of 35.9 Ų, ChemDiv1_019848 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_019848 has 0 hydrogen bond donor(s) and 4 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 ChemDiv1_019848?
The CAS number of ChemDiv1_019848 is 72425-87-7.
What is the molecular formula of ChemDiv1_019848?
The molecular formula of ChemDiv1_019848 is C18H16FN3O.
What is the molecular weight of ChemDiv1_019848?
The molecular weight of ChemDiv1_019848 is 309.13 g/mol.
Where can I buy ChemDiv1_019848?
You can request a quote for ChemDiv1_019848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019848?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.