C.I. Basic Blue 22
TL;DR: C.I. Basic Blue 22 (CAS 12217-41-3) is a chemical compound with molecular formula C21H26N3O2+ and molecular weight 352.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium
Also Known As: C.I. Basic Blue 22, trimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium, Trimethyl-[3-[(4-methylamino-9,10-dioxo-anthracen-1-yl)amino]propyl]azanium, N,N,N-Trimethyl-3-{[4-(methylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}propan-1-aminium
| Molecular Formula | C21H26N3O2+ |
|---|---|
| Molecular Weight | 352.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.2025 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 12217-41-3 |
|---|---|
| SMILES | CNC1=C2C(=C(C=C1)NCCC[N+](C)(C)C)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | ASWFVRBTTRCNAK-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Basic Blue 22 (CAS 12217-41-3), with molecular formula C21H26N3O2+ and molecular weight 352.20 g/mol. IUPAC: trimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium.
Chemical Property Profile of C.I. Basic Blue 22
Property Insights of C.I. Basic Blue 22
The XLogP value of 4.3 indicates that C.I. Basic Blue 22 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, C.I. Basic Blue 22 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C.I. Basic Blue 22 has 2 hydrogen bond donor(s) and 4 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 22?
The CAS number of C.I. Basic Blue 22 is 12217-41-3.
What is the molecular formula of C.I. Basic Blue 22?
The molecular formula of C.I. Basic Blue 22 is C21H26N3O2+.
What is the molecular weight of C.I. Basic Blue 22?
The molecular weight of C.I. Basic Blue 22 is 352.20 g/mol.
Where can I buy C.I. Basic Blue 22?
You can request a quote for C.I. Basic Blue 22 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 22?
Yes, KEHONG BIO provides custom synthesis services for C.I. Basic Blue 22 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.