Boc-D-组氨酸 (请以英文为准,中文仅做参考) Boc-D-His-OH介绍
Boc-D-组氨酸 (请以英文为准,中文仅做参考)
Boc-D-His-OH
CAS号：50654-94-9
Boc-D-组氨酸, CAS号50654-94-9, 是氨基酸及其衍生物类化合物, 分子量为255.27, 分子式C11H17N3O4, 标准纯度98%, 50654-94-9批次质检（如NMR, HPLC, GC）等检测报告。
| 产品名称 : |
Boc-D-His-OH |
| 中文名称 : |
Boc-D-组氨酸(请以英文为准,中文仅做参考) |
| CAS号 : |
50654-94-9 |
| 分子式 : |
C11H17N3O4 |
| 分子量 : |
255.27 |
| MDL NO : |
MFCD00037851 |
| 沸点 : |
– |
| 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 Ų |
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 |
