EINECS 287-285-7
TL;DR: EINECS 287-285-7 (CAS 85455-49-8) is a chemical compound with molecular formula C26H18N2O9S2 and molecular weight 566.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-hydroxy-9,10-dioxo-3-(4-sulfoanilino)anthracen-1-yl]amino]benzenesulfonic acid
Also Known As: 4,4'-((9,10-Dihydro-4-hydroxy-9,10-dioxo-1,3-anthrylene)diimino)bis(benzenesulphonic) acid, 4,4'-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-1,3-diyl)diimino]dibenzenesulfonic acid, 4-[[4-hydroxy-9,10-dioxo-3-(4-sulfoanilino)anthracen-1-yl]amino]benzenesulfonic acid, 4-[[4-hydroxy-9,10-dioxo-3-[(4-sulfophenyl)amino]anthracen-1-yl]amino]benzenesulfonic Acid, 4,4 -[[(9,10-Dihydro-4-hydroxy-9,10-dioxoanthracene)-1,3-diyl]diimino]bis(benzenesulfonic acid)
| Molecular Formula | C26H18N2O9S2 |
|---|---|
| Molecular Weight | 566.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.04535 |
| Heavy Atoms | 39 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 85455-49-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)S(=O)(=O)O)NC5=CC=C(C=C5)S(=O)(=O)O)O |
| InChIKey | LUHXAYBRFPDKFS-UHFFFAOYSA-N |
Product Overview
EINECS 287-285-7 (CAS 85455-49-8), with molecular formula C26H18N2O9S2 and molecular weight 566.05 g/mol. IUPAC: 4-[[4-hydroxy-9,10-dioxo-3-(4-sulfoanilino)anthracen-1-yl]amino]benzenesulfonic acid.
Chemical Property Profile of EINECS 287-285-7
Property Insights of EINECS 287-285-7
The XLogP value of 4.2 indicates that EINECS 287-285-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 204.0 Ų indicates high polarity, suggesting EINECS 287-285-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-285-7 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 287-285-7?
The CAS number of EINECS 287-285-7 is 85455-49-8.
What is the molecular formula of EINECS 287-285-7?
The molecular formula of EINECS 287-285-7 is C26H18N2O9S2.
What is the molecular weight of EINECS 287-285-7?
The molecular weight of EINECS 287-285-7 is 566.05 g/mol.
Where can I buy EINECS 287-285-7?
You can request a quote for EINECS 287-285-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-285-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-285-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.