Methylene Blue Trihydrate
TL;DR: Methylene Blue Trihydrate (CAS 7220-79-3) is a chemical compound with molecular formula C16H24ClN3O3S and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;trihydrate
Also Known As: methylene blue, Methylene Blue trihydrate, methyleneblue, Basic blue 9, Provayblue
| Molecular Formula | C16H24ClN3O3S |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | -2.97 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 373.12268 |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
| Melting Point | 190.0 °C (decomposes) |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 7220-79-3 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.O.O.O.[Cl-] |
| InChIKey | XQAXGZLFSSPBMK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylene Blue Trihydrate (CAS 7220-79-3), with molecular formula C16H24ClN3O3S and molecular weight 373.12 g/mol. IUPAC: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;trihydrate.
Chemical Property Profile of Methylene Blue Trihydrate
Property Insights of Methylene Blue Trihydrate
The XLogP value of -2.97 indicates that Methylene Blue Trihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.9 Ų, Methylene Blue Trihydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylene Blue Trihydrate has 3 hydrogen bond donor(s) and 7 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 Trihydrate?
The CAS number of Methylene Blue Trihydrate is 7220-79-3.
What is the molecular formula of Methylene Blue Trihydrate?
The molecular formula of Methylene Blue Trihydrate is C16H24ClN3O3S.
What is the molecular weight of Methylene Blue Trihydrate?
The molecular weight of Methylene Blue Trihydrate is 373.12 g/mol.
Where can I buy Methylene Blue Trihydrate?
You can request a quote for Methylene Blue Trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylene Blue Trihydrate?
Yes, KEHONG BIO provides custom synthesis services for Methylene Blue Trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.