Boc-D-組氨酸 (請以英文為準,中文僅做參考)
Boc-D-His-OH
CAS號:50654-94-9
Boc-D-組氨酸, CAS號50654-94-9, 是氨基酸及其衍生物類化合物, 分子量為255.27, 分子式C11H17N3O4, 標準純度98%, 50654-94-9批次質檢(如NMR, HPLC, GC)等檢測報告。
產品名稱 : | Boc-D-His-OH |
中文名稱 : | Boc-D-組氨酸(請以英文為準,中文僅做參考) |
CAS號 : | 50654-94-9 |
分子式 : | C11H17N3O4 |
分子量 : | 255.27 |
MDL NO : | MFCD00037851 |
沸點 : | - |
Pubchem ID : | - |
InChIKey : | - |
Physicochemical Properties
Num. heavy atoms | 18 |
Num. arom. heavy atoms | 5 |
Fraction Csp3 | 0.55 |
Num. rotatable bonds | 7 |
Num. H-bond acceptors | 5.0 |
Num. H-bond donors | 3.0 |
Molar Refractivity | 63.49 |
TPSA? | 104.31 ?2 |
Lipophilicity
Log Po/w (iLOGP)? | 1.2 |
Log Po/w (XLOGP3)? | 0.69 |
Log Po/w (WLOGP)? | 0.93 |
Log Po/w (MLOGP)? | -0.41 |
Log Po/w (SILICOS-IT)? | 0.6 |
Consensus Log Po/w? | 0.6 |
Water Solubility
Log S (ESOL)? | -1.6 |
Solubility | 6.4 mg/ml ; 0.0251 mol/l |
Class? | Very soluble |
Log S (Ali)? | -2.46 |
Solubility | 0.89 mg/ml ; 0.00349 mol/l |
Class? | Soluble |
Log S (SILICOS-IT)? | -2.02 |
Solubility | 2.45 mg/ml ; 0.00959 mol/l |
Class? | Soluble |
Pharmacokinetics
GI absorption? | High |
BBB permeant? | No |
P-gp substrate? | No |
CYP1A2 inhibitor? | No |
CYP2C19 inhibitor? | No |
CYP2C9 inhibitor? | No |
CYP2D6 inhibitor? | No |
CYP3A4 inhibitor? | No |
Log Kp (skin permeation)? | -7.37 cm/s |
Druglikeness
Lipinski? | 0.0 |
Ghose? | None |
Veber? | 0.0 |
Egan? | 0.0 |
Muegge? | 0.0 |
Bioavailability Score? | 0.55 |
Medicinal Chemistry
PAINS? | 0.0 alert |
Brenk? | 0.0 alert |
Leadlikeness? | 0.0 |
Synthetic accessibility? | 2.99 |