RefChem:117761
TL;DR: RefChem:117761 (CAS 68003-30-5) is a chemical compound with molecular formula C38H36N10Na2O10S2 and molecular weight 902.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-anilino-6-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(2-hydroxypropoxy)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(2-hydroxypropoxy)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(2-hydroxypropoxy)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2), Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(2-hydroxypropoxy)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2), DISODIUM 5-[[4-(PHENYLAMINO)-6-(2-HYDROXYPROPOXY)-1,3,5-TRIAZIN-2-YL]AMINO]-2-[(E)-2-[4-[[4-(PHENYLAMINO)-6-(2-HYDROXYPROPOXY)-1,3,5-TRIAZIN-2-YL]AMINO]-2-SULFONATO-PHENYL]VINYL]BENZENESULFONATE
| Molecular Formula | C38H36N10Na2O10S2 |
|---|---|
| Molecular Weight | 902.19 g/mol |
| LogP | -1.46 |
| Topological Polar Surface Area | 316.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Exact Mass | 902.18524 |
| Heavy Atoms | 62 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 68003-30-5 |
|---|---|
| SMILES | CC(COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OCC(C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6)O.[Na+].[Na+] |
| InChIKey | UNBOVEPRBRJVTI-UHFFFAOYSA-L |
Product Overview
RefChem:117761 (CAS 68003-30-5), with molecular formula C38H36N10Na2O10S2 and molecular weight 902.19 g/mol. IUPAC: disodium;5-[[4-anilino-6-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of RefChem:117761
Property Insights of RefChem:117761
The XLogP value of -1.46 indicates that RefChem:117761 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 316.0 Ų indicates high polarity, suggesting RefChem:117761 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117761 has 6 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:117761?
The CAS number of RefChem:117761 is 68003-30-5.
What is the molecular formula of RefChem:117761?
The molecular formula of RefChem:117761 is C38H36N10Na2O10S2.
What is the molecular weight of RefChem:117761?
The molecular weight of RefChem:117761 is 902.19 g/mol.
Where can I buy RefChem:117761?
You can request a quote for RefChem:117761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117761?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.