CAS RN: 24959-68-0
Z-ALA-LEU-OH
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250726 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS24959-68-0
- Purity/Analytical Methods: >99.0%
24959-68-0 / 4-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
Basic Information
CAS
24959-68-0
Multi CAS
No
Molecular Formula
C17H24N2O5
Molecular Weight
336.400000
Exact Mass
336.168522
SMILES
CC(C)CC(C(=O)O)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H24N2O5/c1-11(2)9-14(16(21)22)19-15(20)12(3)18-17(23)24-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,23)(H,19,20)(H,21,22)/t12-,14-/m0/s1
InChIKey
YRQTWFBFEXBEQX-JSGCOSHPSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
88.25
TPSA
104.73
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
2.5
Consensus LogP
2.04
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
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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