RefChem:589313
TL;DR: RefChem:589313 (CAS 52238-69-4) is a chemical compound with molecular formula C33H32N10Na2O10S2 and molecular weight 838.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-3-methoxyphenyl]diazenyl]benzenesulfonate
Also Known As: EINECS 257-775-5, KST Yellow J-GW Liquid, Peroxydicarbonic acid di(3-methoxybutyl) ester, Disodium 3,3'-((6-(bis(2-hydroxyethyl)amino)-1,3,5-triazine-2,4-diyl)bis(imino(3-methoxy-4,1-phenylene)azo))bis(benzenesulphonate), Benzenesulfonic acid, 3,3'-((6-(bis(2-hydroxyethyl)amino)-1,3,5-triazine-2,4-diyl)bis(imino(3-methoxy-4,1-phenylene)azo))bis-, disodium salt
| Molecular Formula | C33H32N10Na2O10S2 |
|---|---|
| Molecular Weight | 838.15 g/mol |
| LogP | -1.186 |
| Topological Polar Surface Area | 288.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 17 |
| Exact Mass | 838.154 |
| Heavy Atoms | 57 |
| Complexity | 2283.533 |
Chemical Identifiers
| CAS Number | 52238-69-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])NC3=NC(=NC(=N3)N(CCO)CCO)NC4=C(C=C(C=C4)N=NC5=CC(=CC=C5)S(=O)(=O)[O-])OC.[Na+].[Na+] |
Product Overview
RefChem:589313 (CAS 52238-69-4), with molecular formula C33H32N10Na2O10S2 and molecular weight 838.15 g/mol. IUPAC: disodium;3-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-3-methoxyphenyl]diazenyl]benzenesulfonate.
Chemical Property Profile of RefChem:589313
Property Insights of RefChem:589313
The XLogP value of -1.186 indicates that RefChem:589313 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 288.73 Ų indicates high polarity, suggesting RefChem:589313 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:589313 has 4 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:589313?
The CAS number of RefChem:589313 is 52238-69-4.
What is the molecular formula of RefChem:589313?
The molecular formula of RefChem:589313 is C33H32N10Na2O10S2.
What is the molecular weight of RefChem:589313?
The molecular weight of RefChem:589313 is 838.15 g/mol.
Where can I buy RefChem:589313?
You can request a quote for RefChem:589313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:589313?
Yes, KEHONG BIO provides custom synthesis services for RefChem:589313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.