Acid Blue 22 free acid
TL;DR: Acid Blue 22 free acid (CAS 744951-46-0) is a chemical compound with molecular formula C32H27N3O9S3 and molecular weight 693.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonic acid
Also Known As: Acid Blue 22 free acid, water blue (acid form), 2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonic acid, 2-amino-3-methyl-5-((4-(4-sulfophenylamino)phenyl)(4-(4-sulfophenylimino)cyclohexa-2,5-dienylidene)methyl)benzenesulfonic acid, 2-Amino-3-methyl-5-([4-(4-sulfoanilino)phenyl]{4-[(4-sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methyl)benzene-1-sulfonic acid
| Molecular Formula | C32H27N3O9S3 |
|---|---|
| Molecular Weight | 693.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 693.09094 |
| Heavy Atoms | 47 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 744951-46-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)S(=O)(=O)O)C(=C2C=CC(=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)O |
| InChIKey | WXESCRGMRLUOGU-UHFFFAOYSA-N |
Product Overview
Acid Blue 22 free acid (CAS 744951-46-0), with molecular formula C32H27N3O9S3 and molecular weight 693.09 g/mol. IUPAC: 2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonic acid.
Chemical Property Profile of Acid Blue 22 free acid
Property Insights of Acid Blue 22 free acid
The XLogP value of 4.4 indicates that Acid Blue 22 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 239.0 Ų indicates high polarity, suggesting Acid Blue 22 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acid Blue 22 free acid 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 Acid Blue 22 free acid?
The CAS number of Acid Blue 22 free acid is 744951-46-0.
What is the molecular formula of Acid Blue 22 free acid?
The molecular formula of Acid Blue 22 free acid is C32H27N3O9S3.
What is the molecular weight of Acid Blue 22 free acid?
The molecular weight of Acid Blue 22 free acid is 693.09 g/mol.
Where can I buy Acid Blue 22 free acid?
You can request a quote for Acid Blue 22 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid Blue 22 free acid?
Yes, KEHONG BIO provides custom synthesis services for Acid Blue 22 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.