结晶紫
TL;DR: 结晶紫 (CAS 7438-46-2) is a chemical compound with molecular formula C25H30N3+ and molecular weight 372.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
结晶紫
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Also Known As: Crystal violet, Gentian violet cation, gentian violet, methylrosanilinium, Crystal violet cation
| Molecular Formula | C25H30N3+ |
|---|---|
| Molecular Weight | 372.24 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 9.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.244 |
| Heavy Atoms | 28 |
| Complexity | 542.0 |
| Melting Point | 215 |
| Solubility | 4 |
Chemical Identifiers
| CAS Number | 7438-46-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C |
| InChIKey | LGLFFNDHMLKUMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
结晶紫 (CAS 7438-46-2), with molecular formula C25H30N3+ and molecular weight 372.24 g/mol. IUPAC: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.
Chemical Property Profile of 结晶紫
Property Insights of 结晶紫
The XLogP value of 4.9 indicates that Gentian violet cation is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.5 Ų, 结晶紫 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gentian violet cation 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 Gentian violet cation?
The CAS number of Gentian violet cation is 7438-46-2.
What is the molecular formula of Gentian violet cation?
The molecular formula of Gentian violet cation is C25H30N3+.
What is the molecular weight of Gentian violet cation?
The molecular weight of Gentian violet cation is 372.24 g/mol.
Where can I buy Gentian violet cation?
You can request a quote for Gentian violet cation directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gentian violet cation?
Yes, KEHONG BIO provides custom synthesis services for Gentian violet cation and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.