RefChem:325512
TL;DR: RefChem:325512 (CAS 32694-95-4) is a chemical compound with molecular formula C38H38N12Na2O8S2 and molecular weight 900.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-(2-hydroxypropylamino)-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-hydroxypropyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2), Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxypropyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-,sodium salt (1:2), 2,2'-(1,2-ETHENEDIYL)BIS[5-[[4-[(2-HYDROXYPROPYL)AMINO]-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL]AMINO]BENZENESULFONIC ACID] DISODIUM SALT, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxypropyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2), Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxypropyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
| Molecular Formula | C38H38N12Na2O8S2 |
|---|---|
| Molecular Weight | 900.22 g/mol |
| LogP | -1.397 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Exact Mass | 900.2172 |
| Heavy Atoms | 62 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 32694-95-4 |
|---|---|
| SMILES | CC(CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NCC(C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6)O.[Na+].[Na+] |
| InChIKey | OFFPXUUNBQIOQV-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:325512 (CAS 32694-95-4), with molecular formula C38H38N12Na2O8S2 and molecular weight 900.22 g/mol. IUPAC: disodium;5-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of RefChem:325512
Property Insights of RefChem:325512
The XLogP value of -1.397 indicates that RefChem:325512 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 321.0 Ų indicates high polarity, suggesting RefChem:325512 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:325512 has 8 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:325512?
The CAS number of RefChem:325512 is 32694-95-4.
What is the molecular formula of RefChem:325512?
The molecular formula of RefChem:325512 is C38H38N12Na2O8S2.
What is the molecular weight of RefChem:325512?
The molecular weight of RefChem:325512 is 900.22 g/mol.
Where can I buy RefChem:325512?
You can request a quote for RefChem:325512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325512?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.