1-((2S,5R)-5-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one
한글명:1-((2S,5R)-5-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one
카스 번호1792180-81-4
상품명:1-((2S,5R)-5-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one
CBNumberCB23142473
분자식C15H19N5O
포뮬러 무게285.34
MOL 파일1792180-81-4.mol
화학적 성질
밀도 | 1.272±0.06 g/cm3(Predicted) |
저장 조건 | room temp |
용해도 | DMSO:100.0(Max Conc. mg/mL);350.4(Max Conc. mM) H2O:5.0(Max Conc. mg/mL);17.5(Max Conc. mM) |
산도 계수 (pKa) | 13.03±0.50(Predicted) |
물리적 상태 | 가루 |
색상 | 흰색에서 베이지색 |
InChI | InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1 |
InChIKey | CBRJPFGIXUFMTM-WDEREUQCSA-N |
SMILES | C(N1C[C@H](NC2N=CN=C3NC=CC3=2)CC[C@@H]1C)(=O)C=C |