| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 14 | No |
Popular Name: 2,4-Dioxo-4-thiophen-2-yl-butyric acid methyl ester 2,4-Dioxo-4-thiophen-2-yl-butyri…
Find On: PubMed — Wikipedia — Google
CAS Number: 57409-51-5
"2,4-Dioxo-4-thiophen-2-yl-butyric acid methyl ester, 97%"
2,4-Dioxo-4-(2-thienyl)butyric acid methyl ester
2,4-Dioxo-4-thiophen-2-yl-butyric acid methyl este
2-thiophenebutanoic acid, alpha,gamma-dioxo-, methyl ester
2-Thiophenebutanoicacid, a,g-dioxo-, methyl ester
Methyl 2,4-dioxo-4-(2-thienyl)butanoate
Methyl 2,4-dioxo-4-(2-thienyl)butyrate, 97%
Methyl 2,4-dioxo-4-(thien-2-yl)butanoate
methyl 2,4-dioxo-4-(thiophen-2-yl)butanoate
methyl 2,4-dioxo-4-thien-2-ylbutanoate
methyl(2Z)-2-hydroxy-4-oxo-4-thien-2-ylbut-2-enoate
| 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) | 1.41 | 5.39 | -46.56 | 0 | 4 | -1 | 66 | 211.218 | 4 | ↓ |
| Ref Reference (pH 7) | 1.85 | 5.44 | -46.28 | 0 | 4 | -1 | 66 | 211.218 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.66 | 6.6 | -11.24 | 0 | 4 | 0 | 60 | 212.226 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
