Basic Blue 1
TL;DR: Basic Blue 1 (CAS 3521-06-0) is a chemical compound with molecular formula C23H24Cl2N2 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Also Known As: Setoglaucine, Basic Blue 1, Primocyanine 6GX, Setoglaucin, Setogalucine O
| Molecular Formula | C23H24Cl2N2 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 2.05 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.13165 |
| Heavy Atoms | 27 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 3521-06-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[Cl-] |
| InChIKey | GRPFBMKYXAYEJM-UHFFFAOYSA-M |
Product Overview
Basic Blue 1 (CAS 3521-06-0), with molecular formula C23H24Cl2N2 and molecular weight 398.13 g/mol. IUPAC: [4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride.
Chemical Property Profile of Basic Blue 1
Property Insights of Basic Blue 1
The XLogP value of 2.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Basic Blue 1. With a topological polar surface area (TPSA) of 6.3 Ų, Basic Blue 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Basic Blue 1 has 0 hydrogen bond donor(s) and 2 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 1?
The CAS number of Basic Blue 1 is 3521-06-0.
What is the molecular formula of Basic Blue 1?
The molecular formula of Basic Blue 1 is C23H24Cl2N2.
What is the molecular weight of Basic Blue 1?
The molecular weight of Basic Blue 1 is 398.13 g/mol.
Where can I buy Basic Blue 1?
You can request a quote for Basic Blue 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic Blue 1?
Yes, KEHONG BIO provides custom synthesis services for Basic Blue 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.