Acid Blue 109
TL;DR: Acid Blue 109 (CAS 7253-35-2) is a chemical compound with molecular formula C45H46N3O6S2+ and molecular weight 788.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4Z)-4-[(4-anilinophenyl)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]-3-methylcyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium
Also Known As: Acid Blue 109, C.I. Acid Blue 109, (1E,4Z)-4-[(4-Anilinophenyl)(4-{ethyl[(3-sulfophenyl)methyl]amino}-2-methylphenyl)methylidene]-N-ethyl-3-methyl-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium, [(4Z)-4-[(4-anilinophenyl)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]-3-methylcyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium, Benzenemethanaminium,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, monosodium salt
| Molecular Formula | C45H46N3O6S2+ |
|---|---|
| Molecular Weight | 788.28 g/mol |
| LogP | 9.25012 |
| Topological Polar Surface Area | 127.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 788.2828 |
| Heavy Atoms | 56 |
| Complexity | 2594.0767 |
Chemical Identifiers
| CAS Number | 7253-35-2 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)/C(=C\3/C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3C)/C5=CC=C(C=C5)NC6=CC=CC=C6)C |
Product Overview
Acid Blue 109 (CAS 7253-35-2), with molecular formula C45H46N3O6S2+ and molecular weight 788.28 g/mol. IUPAC: [(4Z)-4-[(4-anilinophenyl)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]-3-methylcyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium.
Chemical Property Profile of Acid Blue 109
Property Insights of Acid Blue 109
The XLogP value of 9.25012 indicates that Acid Blue 109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Acid Blue 109. Following Lipinski's Rule of Five, Acid Blue 109 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acid Blue 109?
The CAS number of Acid Blue 109 is 7253-35-2.
What is the molecular formula of Acid Blue 109?
The molecular formula of Acid Blue 109 is C45H46N3O6S2+.
What is the molecular weight of Acid Blue 109?
The molecular weight of Acid Blue 109 is 788.28 g/mol.
Where can I buy Acid Blue 109?
You can request a quote for Acid Blue 109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid Blue 109?
Yes, KEHONG BIO provides custom synthesis services for Acid Blue 109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.