RefChem:85491
TL;DR: RefChem:85491 (CAS 67905-15-1) is a chemical compound with molecular formula C26H28N4O8S and molecular weight 556.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: 6-Chloro-8-nitroquinoline, 1-Amino-4-((p-acetamidophenyl)amino)anthraquinone-2-sulfonic acid, diethanolamine salt (1:1), 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, compd. with 2,2'-iminobis[ethanol] (1:1), 2-Anthracenesulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-, 2,2'-iminobisethanol salt, 2-Anthracenesulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-, compd. with 2,2'-iminobis(ethanol) (1:1)
| Molecular Formula | C26H28N4O8S |
|---|---|
| Molecular Weight | 556.16 g/mol |
| LogP | 1.55 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 556.1628 |
| Heavy Atoms | 39 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 67905-15-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.C(CO)NCCO |
| InChIKey | LRTRPSNGUVQMLM-UHFFFAOYSA-N |
Product Overview
RefChem:85491 (CAS 67905-15-1), with molecular formula C26H28N4O8S and molecular weight 556.16 g/mol. IUPAC: 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of RefChem:85491
Property Insights of RefChem:85491
The XLogP value of 1.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:85491. The TPSA of 217.0 Ų indicates high polarity, suggesting RefChem:85491 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85491 has 7 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 RefChem:85491?
The CAS number of RefChem:85491 is 67905-15-1.
What is the molecular formula of RefChem:85491?
The molecular formula of RefChem:85491 is C26H28N4O8S.
What is the molecular weight of RefChem:85491?
The molecular weight of RefChem:85491 is 556.16 g/mol.
Where can I buy RefChem:85491?
You can request a quote for RefChem:85491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85491?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.