C.I. Acid Blue 90
TL;DR: C.I. Acid Blue 90 (CAS 6104-58-1) is a chemical compound with molecular formula C47H48N3NaO7S2 and molecular weight 853.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
Also Known As: Brilliant Blue G, Acid Blue 90, tissueblue, Derma Cyanine G, Impero Azure G
| Molecular Formula | C47H48N3NaO7S2 |
|---|---|
| Molecular Weight | 853.28 g/mol |
| LogP | 5.97 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 853.28314 |
| Heavy Atoms | 60 |
| Complexity | 1610.0 |
| Solubility | 1mg/mL |
Chemical Identifiers
| CAS Number | 6104-58-1 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+] |
| InChIKey | RWVGQQGBQSJDQV-UHFFFAOYSA-M |
Product Overview
C.I. Acid Blue 90 (CAS 6104-58-1), with molecular formula C47H48N3NaO7S2 and molecular weight 853.28 g/mol. IUPAC: sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate.
Chemical Property Profile of C.I. Acid Blue 90
Property Insights of C.I. Acid Blue 90
The XLogP value of 5.97 indicates that C.I. Acid Blue 90 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting C.I. Acid Blue 90 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Acid Blue 90 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. Acid Blue 90?
The CAS number of C.I. Acid Blue 90 is 6104-58-1.
What is the molecular formula of C.I. Acid Blue 90?
The molecular formula of C.I. Acid Blue 90 is C47H48N3NaO7S2.
What is the molecular weight of C.I. Acid Blue 90?
The molecular weight of C.I. Acid Blue 90 is 853.28 g/mol.
Where can I buy C.I. Acid Blue 90?
You can request a quote for C.I. Acid Blue 90 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Acid Blue 90?
Yes, KEHONG BIO provides custom synthesis services for C.I. Acid Blue 90 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.