RefChem:1075665
TL;DR: RefChem:1075665 (CAS 107045-06-7) is a chemical compound with molecular formula C21H18BrN5O5 and molecular weight 499.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(4-bromo-3-nitrophenyl)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-bromo-3-nitro-alpha-methylbenzylidene)hydrazide, RefChem:1075665, BRN 5665262
| Molecular Formula | C21H18BrN5O5 |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | 3.1656 |
| Topological Polar Surface Area | 135.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.04913 |
| Heavy Atoms | 32 |
| Complexity | 1171.6029 |
Chemical Identifiers
| CAS Number | 107045-06-7 |
|---|---|
| SMILES | CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C(\C)/C3=CC(=C(C=C3)Br)[N+](=O)[O-] |
Product Overview
RefChem:1075665 (CAS 107045-06-7), with molecular formula C21H18BrN5O5 and molecular weight 499.05 g/mol. IUPAC: N-[(E)-1-(4-bromo-3-nitrophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide.
Chemical Property Profile of RefChem:1075665
Property Insights of RefChem:1075665
The XLogP value of 3.1656 indicates that RefChem:1075665 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.29 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075665. Following Lipinski's Rule of Five, RefChem:1075665 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:1075665?
The CAS number of RefChem:1075665 is 107045-06-7.
What is the molecular formula of RefChem:1075665?
The molecular formula of RefChem:1075665 is C21H18BrN5O5.
What is the molecular weight of RefChem:1075665?
The molecular weight of RefChem:1075665 is 499.05 g/mol.
Where can I buy RefChem:1075665?
You can request a quote for RefChem:1075665 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075665?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075665 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.