| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2010 | 15 | Yes |
Popular Name: 1-Benzyloctahydropyrrolo[3,4-b]pyrrole 1-Benzyloctahydropyrrolo[3,4-b]p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 132414-50-7 , 1932463-31-4 , 370879-92-8 , [132414-50-7]
(3aS,6aR)-1-benzyl-octahydropyrrolo[2,3-c]pyrrole
1-Benzyl-octahydro-pyrrolo[3,4-b]pyrrole
1-Benzylhexahydropyrrolo[3,4-b]pyrrole
| 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) | 1.88 | 5.26 | -32.66 | 2 | 2 | 1 | 16 | 203.309 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 4.3 | -40.52 | 2 | 2 | 1 | 20 | 203.309 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.84 | 12.23 | -43.9 | 1 | 5 | 1 | 49 | 426.606 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 6.7 | -108.04 | 3 | 2 | 2 | 21 | 204.317 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
