C.I. Acid Blue 9
TL;DR: C.I. Acid Blue 9 (CAS 2650-18-2) is a chemical compound with molecular formula C37H42N4O9S3 and molecular weight 782.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diazanium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
Also Known As: Erioglaucine A, C.I. Acid Blue 9, Acid Blue 9, Erioglaucine, Alphazurine FG
| Molecular Formula | C37H42N4O9S3 |
|---|---|
| Molecular Weight | 782.21 g/mol |
| LogP | 5.78 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 782.21136 |
| Heavy Atoms | 53 |
| Complexity | 1510.0 |
| Solubility | Soluble in water (5% at 20 °C and 98 °C) and in ethanol |
Chemical Identifiers
| CAS Number | 2650-18-2 |
|---|---|
| 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=C3)C5=CC=CC=C5S(=O)(=O)[O-].[NH4+].[NH4+] |
| InChIKey | HMEKVHWROSNWPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Acid Blue 9 (CAS 2650-18-2), with molecular formula C37H42N4O9S3 and molecular weight 782.21 g/mol. IUPAC: diazanium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate.
Chemical Property Profile of C.I. Acid Blue 9
Property Insights of C.I. Acid Blue 9
The XLogP value of 5.78 indicates that C.I. Acid Blue 9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.0 Ų indicates high polarity, suggesting C.I. Acid Blue 9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Acid Blue 9 has 2 hydrogen bond donor(s) and 10 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 9?
The CAS number of C.I. Acid Blue 9 is 2650-18-2.
What is the molecular formula of C.I. Acid Blue 9?
The molecular formula of C.I. Acid Blue 9 is C37H42N4O9S3.
What is the molecular weight of C.I. Acid Blue 9?
The molecular weight of C.I. Acid Blue 9 is 782.21 g/mol.
Where can I buy C.I. Acid Blue 9?
You can request a quote for C.I. Acid Blue 9 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 9?
Yes, KEHONG BIO provides custom synthesis services for C.I. Acid Blue 9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.