Physicochemical Properties
| Molecular Formula | C19H13CLN2O3 |
| Molecular Weight | 352.77112364769 |
| Exact Mass | 352.061 |
| CAS # | 1265166-14-0 |
| PubChem CID | 131704488 |
| Appearance | Light brown to black solid powder |
| LogP | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 25 |
| Complexity | 600 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QUAFTMJUVQDZHE-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H13ClN2O3/c1-22-15-7-6-12(23)8-13(15)17-18(22)16(24)9-14(19(17)25)21-11-4-2-10(20)3-5-11/h2-9,21,23H,1H3 |
| Chemical Name | 3-(4-chloroanilino)-6-hydroxy-9-methylcarbazole-1,4-dione |
| 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 |
| 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
| ln Vitro | Antifungal agent 1 had an effective inhibitory impact on Candida albicans, Candida tropicalis, Candida krusei, and Candida neoformans, with MIC values of 6.3, 25.0, 12.5, and 25.0 μg/mL respectively [1]. |
| References | [1]. Ryu CK, et al. Synthesis and antifungal evaluation of 6-hydroxy-1H-carbazole-1,4(9H)-diones. Bioorg Med Chem Lett. 2011 Jan 1;21(1):427-30. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~283.47 mM) H2O : < 0.1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.09 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (7.09 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8347 mL | 14.1735 mL | 28.3471 mL | |
| 5 mM | 0.5669 mL | 2.8347 mL | 5.6694 mL | |
| 10 mM | 0.2835 mL | 1.4174 mL | 2.8347 mL |