Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)
TL;DR: Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) (CAS 5280-69-3) is a chemical compound with molecular formula C32H26BaN8O14S2 and molecular weight 948.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzenesulfonate);barium(2+)
Also Known As: Pigment yellow 61:1, C.I. Pigment yellow 61:1, C16H14N4O7S.1/2Ba, C16-H14-N4-O7-S.1/2Ba, C.I.13880:1
| Molecular Formula | C32H26BaN8O14S2 |
|---|---|
| Molecular Weight | 948.01 g/mol |
| LogP | 3.98 |
| Topological Polar Surface Area | 365.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 948.0062 |
| Heavy Atoms | 57 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 5280-69-3 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Ba+2] |
| InChIKey | HRCWDEIZUGFKOT-UHFFFAOYSA-L |
Product Overview
Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) (CAS 5280-69-3), with molecular formula C32H26BaN8O14S2 and molecular weight 948.01 g/mol. IUPAC: bis(4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzenesulfonate);barium(2+).
Chemical Property Profile of Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)
Property Insights of Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)
The XLogP value of 3.98 indicates that Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 365.0 Ų indicates high polarity, suggesting Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) 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 Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)?
The CAS number of Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) is 5280-69-3.
What is the molecular formula of Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)?
The molecular formula of Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) is C32H26BaN8O14S2.
What is the molecular weight of Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)?
The molecular weight of Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) is 948.01 g/mol.
Where can I buy Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)?
You can request a quote for Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)?
Yes, KEHONG BIO provides custom synthesis services for Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.