RefChem:1075664
TL;DR: RefChem:1075664 (CAS 107045-04-5) is a chemical compound with molecular formula C21H21N5O3 and molecular weight 391.16443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-1-(4-aminophenyl)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-amino-alpha-methylbenzylidene)hydrazide, BRN 5643941
Technical Specifications
| Molecular Formula | C21H21N5O3 |
| Molecular Weight | 391.16443 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.16443 Da |
| Heavy Atoms | 29 |
| Complexity | 699.0 |
| SMILES | CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C(\C)/C3=CC=C(C=C3)N |
| InChIKey | LZXZVQAAVRVGIV-FASIFTCYSA-N |
Chemical Property Profile of RefChem:1075664
Property Insights of RefChem:1075664
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075664. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075664. Following Lipinski's Rule of Five, RefChem:1075664 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1075664?
The CAS number of RefChem:1075664 is 107045-04-5.
What is the molecular formula of RefChem:1075664?
The molecular formula of RefChem:1075664 is C21H21N5O3.
What is the molecular weight of RefChem:1075664?
The molecular weight of RefChem:1075664 is 391.16443 g/mol.
Where can I buy RefChem:1075664?
You can request a quote for RefChem:1075664 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1075664?
Yes, CoreyChem provides custom synthesis services for RefChem:1075664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.