亚甲蓝
TL;DR: 亚甲蓝 (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
[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 (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
Property Insights of 亚甲蓝
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚甲蓝. With a topological polar surface area (TPSA) of 43.9 Ų, 亚甲蓝 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylene blue cation 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 Methylene blue cation?
The CAS number of Methylene blue cation is 7060-82-4.
What is the molecular formula of Methylene blue cation?
The molecular formula of Methylene blue cation is C16H18N3S+.
What is the molecular weight of Methylene blue cation?
The molecular weight of Methylene blue cation is 284.12 g/mol.
Where can I buy Methylene blue cation?
You can request a quote for Methylene blue cation directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylene blue cation?
Yes, KEHONG BIO provides custom synthesis services for Methylene blue cation and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.