Basic Blue 54
TL;DR: Basic Blue 54 (CAS 80373-18-8) is a chemical compound with molecular formula C18H22N4O5S2 and molecular weight 438.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methyl sulfate
Also Known As: Basic Blue 54, Basic Blue 54, C.I. Basic Blue 54, C.I. Basic Blus 54, 2-{[4-(dimethylamino)phenyl]diazenyl}-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate
| Molecular Formula | C18H22N4O5S2 |
|---|---|
| Molecular Weight | 438.10 g/mol |
| LogP | 3.3088 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.10315 |
| Heavy Atoms | 29 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 80373-18-8 |
|---|---|
| SMILES | C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C.COS(=O)(=O)[O-] |
| InChIKey | AQSURVRJJSLSOC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Basic Blue 54 (CAS 80373-18-8), with molecular formula C18H22N4O5S2 and molecular weight 438.10 g/mol. IUPAC: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methyl sulfate.
Chemical Property Profile of Basic Blue 54
Property Insights of Basic Blue 54
The XLogP value of 3.3088 indicates that Basic Blue 54 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Basic Blue 54 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Basic Blue 54 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Basic Blue 54?
The CAS number of Basic Blue 54 is 80373-18-8.
What is the molecular formula of Basic Blue 54?
The molecular formula of Basic Blue 54 is C18H22N4O5S2.
What is the molecular weight of Basic Blue 54?
The molecular weight of Basic Blue 54 is 438.10 g/mol.
Where can I buy Basic Blue 54?
You can request a quote for Basic Blue 54 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic Blue 54?
Yes, KEHONG BIO provides custom synthesis services for Basic Blue 54 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.