RefChem:117896
TL;DR: RefChem:117896 (CAS 74499-55-1) is a chemical compound with molecular formula C31H30N8Na2O7S2 and molecular weight 736.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[[4-[[5-cyano-6-(2-hydroxyethylamino)-4-methyl-2-[2-(4-sulfonatophenyl)ethylamino]-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 3-(2-(4-(2-(5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:2), Benzenesulfonic acid, 3-((4-((5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)azo)-2,5-dimethylphenyl)azo)-, disodium salt, Benzenesulfonic acid, 3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-, disodium salt, Benzenesulfonic acid, 3-[2-[4-[2-[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:2), 3-[[4-[[5-Cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]benzenesulfonic acid disodium salt
| Molecular Formula | C31H30N8Na2O7S2 |
|---|---|
| Molecular Weight | 736.15 g/mol |
| LogP | -0.41566 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 736.1474 |
| Heavy Atoms | 50 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 74499-55-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=C(N=C(C(=C2C)C#N)NCCO)NCCC3=CC=C(C=C3)S(=O)(=O)[O-])C)N=NC4=CC(=CC=C4)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | ZSSYEBOSOMQARW-UHFFFAOYSA-L |
Product Overview
RefChem:117896 (CAS 74499-55-1), with molecular formula C31H30N8Na2O7S2 and molecular weight 736.15 g/mol. IUPAC: disodium;3-[[4-[[5-cyano-6-(2-hydroxyethylamino)-4-methyl-2-[2-(4-sulfonatophenyl)ethylamino]-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzenesulfonate.
Chemical Property Profile of RefChem:117896
Property Insights of RefChem:117896
The XLogP value of -0.41566 indicates that RefChem:117896 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 262.0 Ų indicates high polarity, suggesting RefChem:117896 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117896 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117896?
The CAS number of RefChem:117896 is 74499-55-1.
What is the molecular formula of RefChem:117896?
The molecular formula of RefChem:117896 is C31H30N8Na2O7S2.
What is the molecular weight of RefChem:117896?
The molecular weight of RefChem:117896 is 736.15 g/mol.
Where can I buy RefChem:117896?
You can request a quote for RefChem:117896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117896?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.