RefChem:505795
TL;DR: RefChem:505795 (CAS 66085-69-6) is a chemical compound with molecular formula C41H36N8O2 and molecular weight 672.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[[2-methyl-4-[[3-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]-phenylmethyl]phenyl]diazenyl]-2-phenyl-4H-pyrazol-3-one
Also Known As: Pyridine, 3-(3-ethyl-3-methyl-1-triazenyl)-, 3H-Pyrazol-3-one, 4,4'-((phenylmethylene)bis((2-methyl-4,1-phenylene)azo))bis(2,4-dihydro-5-methyl-2-phenyl-, 3H-Pyrazol-3-one, 4,4'-[(phenylmethylene)bis[(2-methyl-4,1-phenylene)azo]]bis[2,4-dihydro-5-methyl-2-phenyl-, 4,4'-[(Phenylmethylene)bis[(2-methyl-p-phenylene)azo]]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one], 4,4'-{(phenylmethanediyl)bis[(2-methylbenzene-4,1-diyl)(e)diazene-2,1-diyl]}bis(5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one)
| Molecular Formula | C41H36N8O2 |
|---|---|
| Molecular Weight | 672.30 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 672.29614 |
| Heavy Atoms | 51 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 66085-69-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=CC=C5)C)C)N=NC6C(=NN(C6=O)C7=CC=CC=C7)C |
| InChIKey | WXNBMYJCPCEWND-UHFFFAOYSA-N |
Product Overview
RefChem:505795 (CAS 66085-69-6), with molecular formula C41H36N8O2 and molecular weight 672.30 g/mol. IUPAC: 5-methyl-4-[[2-methyl-4-[[3-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]-phenylmethyl]phenyl]diazenyl]-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of RefChem:505795
Property Insights of RefChem:505795
The XLogP value of 8.8 indicates that RefChem:505795 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505795. Following Lipinski's Rule of Five, RefChem:505795 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505795?
The CAS number of RefChem:505795 is 66085-69-6.
What is the molecular formula of RefChem:505795?
The molecular formula of RefChem:505795 is C41H36N8O2.
What is the molecular weight of RefChem:505795?
The molecular weight of RefChem:505795 is 672.30 g/mol.
Where can I buy RefChem:505795?
You can request a quote for RefChem:505795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.