RefChem:1075666
TL;DR: RefChem:1075666 (CAS 107045-03-4) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide
Also Known As: Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (4-methoxybenzylidene)hydrazide, 4-(3-Methyl-5-oxo-4-pyrazolidenemethyl)phenoxyacetic acid 4-methoxybenzylidenehydrazide, RefChem:1075666
| Molecular Formula | C22H22N4O4 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 2.5035 |
| Topological Polar Surface Area | 101.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.1641 |
| Heavy Atoms | 30 |
| Complexity | 1022.108 |
Chemical Identifiers
| CAS Number | 107045-03-4 |
|---|---|
| SMILES | CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C(\C)/C3=CC=C(C=C3)OC |
Product Overview
RefChem:1075666 (CAS 107045-03-4), with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol. IUPAC: N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide.
Chemical Property Profile of RefChem:1075666
Property Insights of RefChem:1075666
The XLogP value of 2.5035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075666. The TPSA of 101.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075666. Following Lipinski's Rule of Five, RefChem:1075666 has 2 hydrogen bond donor(s) and 6 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:1075666?
The CAS number of RefChem:1075666 is 107045-03-4.
What is the molecular formula of RefChem:1075666?
The molecular formula of RefChem:1075666 is C22H22N4O4.
What is the molecular weight of RefChem:1075666?
The molecular weight of RefChem:1075666 is 406.16 g/mol.
Where can I buy RefChem:1075666?
You can request a quote for RefChem:1075666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075666?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.