Pigment red 95
TL;DR: Pigment red 95 (CAS 61968-79-4) is a chemical compound with molecular formula C31H24N4O8S and molecular weight 612.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methoxybenzenesulfonate
Also Known As: Pigment red 95, C.I. Pigment Red 95, Nitrophenyl 3-2-hydroxy-3-(2-methylphenyl)carbamoyl-1-naphthylazo-4-methoxybenzenesulphonate, Benzenesulfonic acid, 3-[2-[2-hydroxy-3-[[(2-methylphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-4-methoxy-, 4-nitrophenyl ester, 1-((2-Methoxy-5-((4-nitrophenoxy)sulfonyl)phenyl)azo)-3-(((2-methylphenyl)amino)carbonyl)-2-naphthol
| Molecular Formula | C31H24N4O8S |
|---|---|
| Molecular Weight | 612.13 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 612.1315 |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 61968-79-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)S(=O)(=O)OC5=CC=C(C=C5)[N+](=O)[O-])OC |
| InChIKey | SECAKRZQBSFFML-UHFFFAOYSA-N |
Product Overview
Pigment red 95 (CAS 61968-79-4), with molecular formula C31H24N4O8S and molecular weight 612.13 g/mol. IUPAC: (4-nitrophenyl) 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methoxybenzenesulfonate.
Chemical Property Profile of Pigment red 95
Property Insights of Pigment red 95
The XLogP value of 7.2 indicates that Pigment red 95 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Pigment red 95 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment red 95 has 2 hydrogen bond donor(s) and 10 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 95?
The CAS number of Pigment red 95 is 61968-79-4.
What is the molecular formula of Pigment red 95?
The molecular formula of Pigment red 95 is C31H24N4O8S.
What is the molecular weight of Pigment red 95?
The molecular weight of Pigment red 95 is 612.13 g/mol.
Where can I buy Pigment red 95?
You can request a quote for Pigment red 95 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment red 95?
Yes, KEHONG BIO provides custom synthesis services for Pigment red 95 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.