| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 19 | Yes |
Popular Name: 4-{[2-Fluoro-5-(methylsulfonyl)phenyl]amino}-4-oxobutanoic acid 4-{[2-Fluoro-5-(methylsulfonyl)p…
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CAS Numbers: 389609-83-0 , [389609-83-0]
4-{[2-Fluoro-5-(methylsulfonyl)phenyl]amino}-4-oxo
4-{[2-Fluoro-5-(methylsulfonyl)phenyl]amino}-4-oxo butanoic acid
4-{[2-Fluoro-5-(methylsulfonyl)phenyl]amino}-4-oxobutanoicacid
4-{[2-Fluoro-5-(methylsulphonyl)phenyl]amino-4-oxobutanoic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.14 | -3.22 | -54.39 | 1 | 6 | -1 | 103 | 288.276 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 176 - 178° | Fluorochem |
| MP | 176-178° | Matrix Scientific |
| Purity | 95%+ | Fluorochem |
| Warnings | Irritant | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
