CAS RN: 21881-18-5
Z-PHE-ALA-OH
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251021 | 100g | Out of stock | Inquiry | |
| Batchno.20260420 | 10g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250104 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250425 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250708 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20251216 | 25g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260618 | 5g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS21881-18-5
- Purity/Analytical Methods: >99.0%
21881-18-5 / (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Basic Information
CAS
21881-18-5
Multi CAS
No
Molecular Formula
C20H22N2O5
Molecular Weight
370.400000
Exact Mass
370.152872
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H22N2O5/c1-14(19(24)25)21-18(23)17(12-15-8-4-2-5-9-15)22-20(26)27-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t14-,17-/m0/s1
InChIKey
LEJTXQOVOPDGHS-YOEHRIQHSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
98.94
TPSA
104.73
LogP / Solubility
WLOGP
2.11
MLOGP
1.88
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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