Physicochemical Properties
| Molecular Formula | C37H27N3NA2O9S3 |
| Molecular Weight | 799.80 |
| Exact Mass | 799.07 |
| CAS # | 28983-56-4 |
| PubChem CID | 14513727 |
| Appearance | Light brown to brown solid powder |
| LogP | 10.317 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 54 |
| Complexity | 1620 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | MCPLVIGCWWTHFH-UHFFFAOYSA-L |
| InChi Code | InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2 |
| Chemical Name | disodium;4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfonatophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. Micellar effect on the kinetics of oxidation of methyl blue by Ce(IV) in sulfuric acid medium. Arabian Journal of Chemistry. Volume 8, Issue 1, January 2015, Pages 72-77. [2]. Photostability of Aniline Blue (CI 42755) and Methyl Blue (CI 42780). Dyes and Pigments. Volume 34, Issue 2, June 1997, Pages 159-167. |
| Additional Infomation | See also: Methyl Blue (annotation moved to). |
Solubility Data
| Solubility (In Vitro) | H2O: 20 mg/mL (25.01 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 16.67 mg/mL (20.84 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.2503 mL | 6.2516 mL | 12.5031 mL | |
| 5 mM | 0.2501 mL | 1.2503 mL | 2.5006 mL | |
| 10 mM | 0.1250 mL | 0.6252 mL | 1.2503 mL |