≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Progabide is an analog and prodrug of gamma-aminobutyric acid. It has potential uses in the treatment of epilepsy. It has agonistic activity for both the GABAA and GABAB receptors.
| pKa | pKa: 10.33 (Predicted) |
|---|---|
| Ki Data | GABA-A receptor; anion channel: Ki= 14 μM (rat); GABA-A receptor; anion channel: Ki= 40 μM (human) |
| Canonical Smiles | C1=CC(=CC=C1C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O)Cl |
|---|---|
| IUPAC Name | 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanamide |
| InChIKey | IBALRBWGSVJPAP-UHFFFAOYSA-N |
| INCHI | 1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23) |
| Isomeric SMILES | C1=CC(=CC=C1C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O)Cl |
| PubChem CID | 44115 |
| Molecular Weight | 334.77 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Gamma amino acids and derivatives P-fluorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Fatty amides Secondary ketimines Azomethines Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Gamma amino acid or derivatives - 4-fluorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Fatty amide - Azomethine - Secondary ketimine - Carboxamide group - Ketimine - Primary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Imine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organofluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2416761 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| J2416762 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| J2416763 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| J2416764 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| J2416766 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| J2416767 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| J2416768 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| J2416769 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| J2416776 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| J2416777 | Certificate of Analysis | Jun 28, 2024 | P347299 |
| Solubility | Soluble in chloroform, DMSO, and methanol. |
|---|---|
| Refractive Index | n20D1.61 (Predicted) |
| Boil Point(°C) | ~558.1° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 135-137° C |
| Molecular Weight | 334.800 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 334.088 Da |
| Monoisotopic Mass | 334.088 Da |
| Topological Polar Surface Area | 75.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 425.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
