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| IUPAC Name: | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]pentanamide |
| Description: | Biotin-PEG3-Amine (CAS# 359860-27-8) is a biotin derivative and is used as a reagent in the synthesis of a potent, covalent BTK inhibitor for B-cell lymphoma. |
| Molecular Weight: | 418.55 |
| Molecular Formula: | C18H34N4O5S |
| Canonical SMILES: | C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCN)NC(=O)N2 |
| InChI: | InChI=1S/C18H34N4O5S/c19-5-7-25-9-11-27-12-10-26-8-6-20-16(23)4-2-1-3-15-17-14(13-28-15)21-18(24)22-17/h14-15,17H,1-13,19H2,(H,20,23)(H2,21,22,24)/t14-,15-,17-/m0/s1 |
| InChI Key: | KIJSBKNJFAUJFV-ZOBUZTSGSA-N |
| Boiling Point: | 705.8±60.0 °C at 760 mmHg |
| Purity: | >98% |
| Density: | 1.2±0.1 g/cm3 |
| Appearance: | White to almost white crystal powder |
| Storage: | Store at -20°C |
| LogP: | 1.34630 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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