Alkali blue
TL;DR: Alkali blue (CAS 1324-76-1) is a chemical compound with molecular formula C32H29N3O4S and molecular weight 551.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonic acid
Also Known As: Alkali blue, 4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonic acid, 4-[4-[(4-amino-3-methyl-phenyl)-(4-anilinophenyl)-hydroxy-methyl]anilino]benzenesulfonic acid
| Molecular Formula | C32H29N3O4S |
|---|---|
| Molecular Weight | 551.19 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 551.18787 |
| Heavy Atoms | 40 |
| Complexity | 882.0 |
Chemical Identifiers
| CAS Number | 1324-76-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)NC3=CC=CC=C3)(C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)O)O)N |
| InChIKey | OELCCAGECZAVLE-UHFFFAOYSA-N |
Product Overview
Alkali blue (CAS 1324-76-1), with molecular formula C32H29N3O4S and molecular weight 551.19 g/mol. IUPAC: 4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonic acid.
Chemical Property Profile of Alkali blue
Property Insights of Alkali blue
The XLogP value of 5.7 indicates that Alkali blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alkali blue. Following Lipinski's Rule of Five, Alkali blue has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alkali blue?
The CAS number of Alkali blue is 1324-76-1.
What is the molecular formula of Alkali blue?
The molecular formula of Alkali blue is C32H29N3O4S.
What is the molecular weight of Alkali blue?
The molecular weight of Alkali blue is 551.19 g/mol.
Where can I buy Alkali blue?
You can request a quote for Alkali blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alkali blue?
Yes, KEHONG BIO provides custom synthesis services for Alkali blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.