EINECS 225-880-5
TL;DR: EINECS 225-880-5 (CAS 12768-91-1) is a chemical compound with molecular formula C40H44N12O16S4 and molecular weight 1076.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: EINECS 225-880-5, C.I. Fluorescent Brightener 87, 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid, 4,4'-bis[[4-[bis amino]-6- -1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonicacid
| Molecular Formula | C40H44N12O16S4 |
|---|---|
| Molecular Weight | 1076.19 g/mol |
| LogP | 1.7702 |
| Topological Polar Surface Area | 430.34 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Exact Mass | 1076.1881 |
| Heavy Atoms | 72 |
| Complexity | 3193.5583 |
Chemical Identifiers
| CAS Number | 12768-91-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
EINECS 225-880-5 (CAS 12768-91-1), with molecular formula C40H44N12O16S4 and molecular weight 1076.19 g/mol. IUPAC: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid.
Chemical Property Profile of EINECS 225-880-5
Property Insights of EINECS 225-880-5
The XLogP value of 1.7702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 225-880-5. The TPSA of 430.34 Ų indicates high polarity, suggesting EINECS 225-880-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 225-880-5 has 12 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 225-880-5?
The CAS number of EINECS 225-880-5 is 12768-91-1.
What is the molecular formula of EINECS 225-880-5?
The molecular formula of EINECS 225-880-5 is C40H44N12O16S4.
What is the molecular weight of EINECS 225-880-5?
The molecular weight of EINECS 225-880-5 is 1076.19 g/mol.
Where can I buy EINECS 225-880-5?
You can request a quote for EINECS 225-880-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 225-880-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 225-880-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.