CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 215-217 °C |
| Solubility | 31.4 mg/L |
| LogP | 2.55 |
| Stability/Shelf Life | Bulk: A sample stored at 60 °C for 30 days showed no decomposition (UV, HPLC). Solution: A solution in 5% methanol (0.5 mg/mL) showed no decomposition after 9 days (UV). A solution in 5% dimethylacetamide /pH 4 acetate buffer showed no decomposition after 48 hours(HPLC). |
| Dissociation Constants | 8.0 |
| Other Experimental Properties | Crystals from aqueous acetic acid; mp: 215-217 °C; poorly sol in water. /Trimetrexate monoacetate monohydrate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 369.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 369.18008961 g/mol |
| Monoisotopic Mass | 369.18008961 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 457 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Trimetrexate is a member of quinazolines. It has a role as an antifungal drug.