C.I. Basic Blue 54
TL;DR: C.I. Basic Blue 54 (CAS 85283-87-0) is a chemical compound with molecular formula C17H19N4OS+ and molecular weight 327.13 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
Also Known As: Basic Blue 54, C.I. Basic Blue 54, Cationic Blue 2K, BB54 dye, C17H19N4OS.1/2O4S
| Molecular Formula | C17H19N4OS+ |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.12796 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 85283-87-0 |
|---|---|
| SMILES | C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C |
| InChIKey | WVUKFQBBZVBJRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Basic Blue 54 (CAS 85283-87-0), with molecular formula C17H19N4OS+ and molecular weight 327.13 g/mol. IUPAC: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline.
Chemical Property Profile of C.I. Basic Blue 54
Property Insights of C.I. Basic Blue 54
The XLogP value of 4.7 indicates that C.I. Basic Blue 54 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I. Basic Blue 54. Following Lipinski's Rule of Five, C.I. Basic Blue 54 has 0 hydrogen bond donor(s) and 5 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 C.I. Basic Blue 54?
The CAS number of C.I. Basic Blue 54 is 85283-87-0.
What is the molecular formula of C.I. Basic Blue 54?
The molecular formula of C.I. Basic Blue 54 is C17H19N4OS+.
What is the molecular weight of C.I. Basic Blue 54?
The molecular weight of C.I. Basic Blue 54 is 327.13 g/mol.
Where can I buy C.I. Basic Blue 54?
You can request a quote for C.I. 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 C.I. Basic Blue 54?
Yes, KEHONG BIO provides custom synthesis services for C.I. Basic Blue 54 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.