RefChem:1075580
TL;DR: RefChem:1075580 (CAS 107045-05-6) is a chemical compound with molecular formula C21H19ClN4O3 and molecular weight 410.11456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-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)-, (1-(4-chlorophenyl)ethylidene)hydrazide, ACETICACID, 2-[4-[(1,5-DIHYDRO-3-METHYL-5-OXO-4H-PYRAZOL-4-YLIDENE)METHYL]PHENOXY]-,2-[1-(4-CHLOROPHENYL)ETHYLIDENE]HYDRAZIDE, Aceticacid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[1-(4-chlorophenyl)ethylidene]hydrazide, BRN 5643938
Technical Specifications
| Molecular Formula | C21H19ClN4O3 |
| Molecular Weight | 410.11456 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.11456 Da |
| Heavy Atoms | 29 |
| Complexity | 703.0 |
| SMILES | CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C(\C)/C3=CC=C(C=C3)Cl |
| InChIKey | QBGYLVXSUJAYMR-FASIFTCYSA-N |
Chemical Property Profile of RefChem:1075580
Property Insights of RefChem:1075580
The XLogP value of 3.5 indicates that RefChem:1075580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075580. Following Lipinski's Rule of Five, RefChem:1075580 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
What is the CAS number of RefChem:1075580?
The CAS number of RefChem:1075580 is 107045-05-6.
What is the molecular formula of RefChem:1075580?
The molecular formula of RefChem:1075580 is C21H19ClN4O3.
What is the molecular weight of RefChem:1075580?
The molecular weight of RefChem:1075580 is 410.11456 g/mol.
Where can I buy RefChem:1075580?
You can request a quote for RefChem:1075580 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1075580?
Yes, CoreyChem provides custom synthesis services for RefChem:1075580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.