RefChem:1058914
TL;DR: RefChem:1058914 (CAS 78280-41-8) is a chemical compound with molecular formula C42H38N12Na2O6S2 and molecular weight 916.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[(E)-2-[4-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonate
Also Known As: 2,2'-Stilbenedisulfonic acid, 4-(4,6-dianilino-s-triazin-2-yl)amino-4'-(4-anilino-6-(diethylamino)-s-triazin-2-yl)amino-, disodium salt, Benzenesulfonic acid, 5-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(diethylamino)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-, disodium salt, disodium 2-[(E)-2-[4-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[[4-diethylamino-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonate, disodium 2-[(E)-2-[4-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonate, RefChem:1058914
| Molecular Formula | C42H38N12Na2O6S2 |
|---|---|
| Molecular Weight | 916.23 g/mol |
| LogP | 1.6074 |
| Topological Polar Surface Area | 255.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Exact Mass | 916.2274 |
| Heavy Atoms | 64 |
| Complexity | 2879.985 |
Chemical Identifiers
| CAS Number | 78280-41-8 |
|---|---|
| SMILES | CCN(CC)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])NC7=CC=CC=C7.[Na+].[Na+] |
Product Overview
RefChem:1058914 (CAS 78280-41-8), with molecular formula C42H38N12Na2O6S2 and molecular weight 916.23 g/mol. IUPAC: disodium;2-[(E)-2-[4-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonate.
Chemical Property Profile of RefChem:1058914
Property Insights of RefChem:1058914
The XLogP value of 1.6074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058914. The TPSA of 255.13 Ų indicates high polarity, suggesting RefChem:1058914 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058914 has 5 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 RefChem:1058914?
The CAS number of RefChem:1058914 is 78280-41-8.
What is the molecular formula of RefChem:1058914?
The molecular formula of RefChem:1058914 is C42H38N12Na2O6S2.
What is the molecular weight of RefChem:1058914?
The molecular weight of RefChem:1058914 is 916.23 g/mol.
Where can I buy RefChem:1058914?
You can request a quote for RefChem:1058914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058914?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.