Aniline Blue
TL;DR: Aniline Blue (CAS 61489-48-3) is a chemical compound with molecular formula C37H29N3O9S3 and molecular weight 755.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid
Also Known As: Aniline Blue, methyl blue free acid, Methyl Blue, Water Blue, Acid Blue 93
| Molecular Formula | C37H29N3O9S3 |
|---|---|
| Molecular Weight | 755.11 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 755.10657 |
| Heavy Atoms | 52 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 61489-48-3 |
|---|---|
| SMILES | C1=CC(=NC2=CC=C(C=C2)S(=O)(=O)O)C=CC1=C(C3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)NC6=CC=C(C=C6)S(=O)(=O)O |
| InChIKey | RFKJHQXSLBUONF-UHFFFAOYSA-N |
Product Overview
Aniline Blue (CAS 61489-48-3), with molecular formula C37H29N3O9S3 and molecular weight 755.11 g/mol. IUPAC: 4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid.
Chemical Property Profile of Aniline Blue
Property Insights of Aniline Blue
The XLogP value of 5.7 indicates that Aniline Blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.0 Ų indicates high polarity, suggesting Aniline Blue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aniline Blue has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aniline Blue?
The CAS number of Aniline Blue is 61489-48-3.
What is the molecular formula of Aniline Blue?
The molecular formula of Aniline Blue is C37H29N3O9S3.
What is the molecular weight of Aniline Blue?
The molecular weight of Aniline Blue is 755.11 g/mol.
Where can I buy Aniline Blue?
You can request a quote for Aniline Blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline Blue?
Yes, KEHONG BIO provides custom synthesis services for Aniline Blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.