亚甲蓝阳离子
TL;DR: 亚甲蓝阳离子 (CAS 7060-82-4) is a chemical compound with molecular formula C16H18N3S+ and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚甲蓝阳离子
[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium
Also Known As: methylene blue, Methylene Blue cation, Methylthioninium, proveblue, Basic blue 9
| Molecular Formula | C16H18N3S+ |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.12213 |
| Heavy Atoms | 20 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 7060-82-4 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2 |
| InChIKey | RBTBFTRPCNLSDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚甲蓝阳离子 (CAS 7060-82-4), with molecular formula C16H18N3S+ and molecular weight 284.12 g/mol. IUPAC: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium.
Chemical Property Profile of 亚甲蓝阳离子
Property Insights of 亚甲蓝阳离子
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚甲蓝阳离子. With a topological polar surface area (TPSA) of 43.9 Ų, 亚甲蓝阳离子 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚甲蓝阳离子 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 亚甲蓝阳离子?
The CAS number of 亚甲蓝阳离子 is 7060-82-4.
What is the molecular formula of 亚甲蓝阳离子?
The molecular formula of 亚甲蓝阳离子 is C16H18N3S+.
What is the molecular weight of 亚甲蓝阳离子?
The molecular weight of 亚甲蓝阳离子 is 284.12 g/mol.
Where can I buy 亚甲蓝阳离子?
You can request a quote for 亚甲蓝阳离子 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚甲蓝阳离子?
Yes, KEHONG BIO provides custom synthesis services for 亚甲蓝阳离子 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.