RefChem:1075575
TL;DR: RefChem:1075575 (CAS 107044-97-3) is a chemical compound with molecular formula C22H22N4O5 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide
Also Known As: Acetic acid, (4-((1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl)phenoxy)-, ((3,4-dimethoxyphenyl)methylene)hydrazide, RefChem:1075575, BRN 5654521
| Molecular Formula | C22H22N4O5 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 2.122 |
| Topological Polar Surface Area | 110.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.15903 |
| Heavy Atoms | 31 |
| Complexity | 1058.071 |
Chemical Identifiers
| CAS Number | 107044-97-3 |
|---|---|
| SMILES | CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC(=C(C=C3)OC)OC |
Product Overview
RefChem:1075575 (CAS 107044-97-3), with molecular formula C22H22N4O5 and molecular weight 422.16 g/mol. IUPAC: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide.
Chemical Property Profile of RefChem:1075575
Property Insights of RefChem:1075575
The XLogP value of 2.122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075575. The TPSA of 110.61 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075575. Following Lipinski's Rule of Five, RefChem:1075575 has 2 hydrogen bond donor(s) and 7 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:1075575?
The CAS number of RefChem:1075575 is 107044-97-3.
What is the molecular formula of RefChem:1075575?
The molecular formula of RefChem:1075575 is C22H22N4O5.
What is the molecular weight of RefChem:1075575?
The molecular weight of RefChem:1075575 is 422.16 g/mol.
Where can I buy RefChem:1075575?
You can request a quote for RefChem:1075575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075575?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.