Basic Blue 5
TL;DR: Basic Blue 5 (CAS 3943-82-6) is a chemical compound with molecular formula C25H28Cl2N2 and molecular weight 426.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenyl)-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-N-ethyl-2-methylaniline;hydrochloride
Also Known As: Setocyanine, Basic Blue 5, Brilliant Glacier Blue, 4-[(E)-(2-chlorophenyl)-(4-ethylimino-3-methylcyclohexa-2,5-, 4-((2-Chlorophenyl)(4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)-N-ethyl-o-toluidine monohydrochloride
| Molecular Formula | C25H28Cl2N2 |
|---|---|
| Molecular Weight | 426.16 g/mol |
| LogP | 7.28 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.16296 |
| Heavy Atoms | 29 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 3943-82-6 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=CC=CC=C3Cl)C.Cl |
| InChIKey | MDOWYKFAQVNQJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Basic Blue 5 (CAS 3943-82-6), with molecular formula C25H28Cl2N2 and molecular weight 426.16 g/mol. IUPAC: 4-[(2-chlorophenyl)-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-N-ethyl-2-methylaniline;hydrochloride.
Chemical Property Profile of Basic Blue 5
Property Insights of Basic Blue 5
The XLogP value of 7.28 indicates that Basic Blue 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, Basic Blue 5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Basic Blue 5 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Basic Blue 5?
The CAS number of Basic Blue 5 is 3943-82-6.
What is the molecular formula of Basic Blue 5?
The molecular formula of Basic Blue 5 is C25H28Cl2N2.
What is the molecular weight of Basic Blue 5?
The molecular weight of Basic Blue 5 is 426.16 g/mol.
Where can I buy Basic Blue 5?
You can request a quote for Basic Blue 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic Blue 5?
Yes, KEHONG BIO provides custom synthesis services for Basic Blue 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.