結晶紫
TL;DR: 結晶紫 (CAS 548-62-9) is a chemical compound with molecular formula C25H30ClN3 and molecular weight 407.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
結晶紫
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Also Known As: Crystal violet, gentian violet, Basic violet 3, Gentiaverm, Aniline Violet
| Molecular Formula | C25H30ClN3 |
|---|---|
| Molecular Weight | 407.21 g/mol |
| LogP | 1.46 |
| Topological Polar Surface Area | 9.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.21283 |
| Heavy Atoms | 29 |
| Complexity | 542.0 |
| Melting Point | 215.0 °C (Decomposes) |
| Solubility | less than 1 mg/mL at 86 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 548-62-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-] |
| InChIKey | ZXJXZNDDNMQXFV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
結晶紫 (CAS 548-62-9), with molecular formula C25H30ClN3 and molecular weight 407.21 g/mol. IUPAC: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride.
Chemical Property Profile of 結晶紫
Property Insights of 結晶紫
The XLogP value of 1.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 結晶紫. With a topological polar surface area (TPSA) of 9.5 Ų, 結晶紫 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 結晶紫 has 0 hydrogen bond donor(s) and 3 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 結晶紫?
The CAS number of 結晶紫 is 548-62-9.
What is the molecular formula of 結晶紫?
The molecular formula of 結晶紫 is C25H30ClN3.
What is the molecular weight of 結晶紫?
The molecular weight of 結晶紫 is 407.21 g/mol.
Where can I buy 結晶紫?
You can request a quote for 結晶紫 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 結晶紫?
Yes, KEHONG BIO provides custom synthesis services for 結晶紫 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.