RefChem:1075668
TL;DR: RefChem:1075668 (CAS 107044-99-5) is a chemical compound with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]-N-[(E)-1-phenylethylideneamino]acetamide
Also Known As: Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (alpha-methylbenzylidene)hydrazide, 4-(3-Methyl-5-oxo-4-pyrazolidenemethyl)phenoxyacetic acid alpha-methylbenzylidenehydrazide, RefChem:1075668, BRN 5630869
| Molecular Formula | C21H20N4O3 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 2.4949 |
| Topological Polar Surface Area | 92.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.15353 |
| Heavy Atoms | 28 |
| Complexity | 960.905 |
Chemical Identifiers
| CAS Number | 107044-99-5 |
|---|---|
| SMILES | CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C(\C)/C3=CC=CC=C3 |
Product Overview
RefChem:1075668 (CAS 107044-99-5), with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol. IUPAC: 2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]-N-[(E)-1-phenylethylideneamino]acetamide.
Chemical Property Profile of RefChem:1075668
Property Insights of RefChem:1075668
The XLogP value of 2.4949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075668. The TPSA of 92.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075668. Following Lipinski's Rule of Five, RefChem:1075668 has 2 hydrogen bond donor(s) and 5 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 RefChem:1075668?
The CAS number of RefChem:1075668 is 107044-99-5.
What is the molecular formula of RefChem:1075668?
The molecular formula of RefChem:1075668 is C21H20N4O3.
What is the molecular weight of RefChem:1075668?
The molecular weight of RefChem:1075668 is 376.15 g/mol.
Where can I buy RefChem:1075668?
You can request a quote for RefChem:1075668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075668?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.