Basic Blue 41
TL;DR: Basic Blue 41 (CAS 12270-13-2) is a chemical compound with molecular formula C20H26N4O6S2 and molecular weight 482.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;methyl sulfate
Also Known As: Basic blue 41, C.I. Basic Blue 41, Basic Blue, BasicBlue, C.I.Basic Blue 41
| Molecular Formula | C20H26N4O6S2 |
|---|---|
| Molecular Weight | 482.13 g/mol |
| LogP | 3.06 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.12936 |
| Heavy Atoms | 32 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 12270-13-2 |
|---|---|
| SMILES | CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.COS(=O)(=O)[O-] |
| InChIKey | MHOFGBJTSNWTDT-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Basic Blue 41 (CAS 12270-13-2), with molecular formula C20H26N4O6S2 and molecular weight 482.13 g/mol. IUPAC: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;methyl sulfate.
Chemical Property Profile of Basic Blue 41
Property Insights of Basic Blue 41
The XLogP value of 3.06 indicates that Basic Blue 41 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting Basic Blue 41 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Basic Blue 41 has 1 hydrogen bond donor(s) and 10 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 41?
The CAS number of Basic Blue 41 is 12270-13-2.
What is the molecular formula of Basic Blue 41?
The molecular formula of Basic Blue 41 is C20H26N4O6S2.
What is the molecular weight of Basic Blue 41?
The molecular weight of Basic Blue 41 is 482.13 g/mol.
Where can I buy Basic Blue 41?
You can request a quote for Basic Blue 41 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic Blue 41?
Yes, KEHONG BIO provides custom synthesis services for Basic Blue 41 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.