![Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate structure](/static/products/1228/12286-66-7.webp)
Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate
TL;DR: Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate (CAS 12286-66-7) is a chemical compound with molecular formula C34H30CaN8O14S2 and molecular weight 878.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate)
Also Known As: fast yellow fw, Pigment Yellow 62, pigment yellow 62, pigment yellow 62 (c.i. 13940), pigment yellow wsr (pigment yellow 62)
| Molecular Formula | C34H30CaN8O14S2 |
|---|---|
| Molecular Weight | 878.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 365.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 878.0949 |
| Heavy Atoms | 59 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 12286-66-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CC(=O)CN=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC1=CC=CC=C1NC(=O)CC(=O)CN=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Ca+2] |
| InChIKey | JAHRTQLUBJTOSN-UHFFFAOYSA-L |
Product Overview
Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate (CAS 12286-66-7), with molecular formula C34H30CaN8O14S2 and molecular weight 878.09 g/mol. IUPAC: calcium bis(4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate).
Chemical Property Profile of Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate
Property Insights of Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate
The XLogP value of 4.6 indicates that Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 365.0 Ų indicates high polarity, suggesting Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate?
The CAS number of Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate is 12286-66-7.
What is the molecular formula of Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate?
The molecular formula of Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate is C34H30CaN8O14S2.
What is the molecular weight of Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate?
The molecular weight of Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate is 878.09 g/mol.
Where can I buy Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate?
You can request a quote for Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium;4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.