Pigment red 42
TL;DR: Pigment red 42 (CAS 6358-90-3) is a chemical compound with molecular formula C38H34N8O8 and molecular weight 730.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-[4-[(3-ethoxycarbonyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
Also Known As: Pigment red 42, C.I. Pigment Red 42, C.I.Pigment Red 42, Diethyl 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate), Diethyl 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate]
| Molecular Formula | C38H34N8O8 |
|---|---|
| Molecular Weight | 730.25 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 730.24994 |
| Heavy Atoms | 54 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 6358-90-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=CC=C5)C(=O)OCC)OC)OC)C6=CC=CC=C6 |
| InChIKey | XKVXTRFJPVNNQZ-UHFFFAOYSA-N |
Product Overview
Pigment red 42 (CAS 6358-90-3), with molecular formula C38H34N8O8 and molecular weight 730.25 g/mol. IUPAC: ethyl 4-[[4-[4-[(3-ethoxycarbonyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate.
Chemical Property Profile of Pigment red 42
Property Insights of Pigment red 42
The XLogP value of 6.9 indicates that Pigment red 42 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting Pigment red 42 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment red 42 has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pigment red 42?
The CAS number of Pigment red 42 is 6358-90-3.
What is the molecular formula of Pigment red 42?
The molecular formula of Pigment red 42 is C38H34N8O8.
What is the molecular weight of Pigment red 42?
The molecular weight of Pigment red 42 is 730.25 g/mol.
Where can I buy Pigment red 42?
You can request a quote for Pigment red 42 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment red 42?
Yes, KEHONG BIO provides custom synthesis services for Pigment red 42 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.