CAS RN: 16422-07-4
H-ALA-ALA-GLY-OH
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260311 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS16422-07-4
- Purity/Analytical Methods: >99.0%
16422-07-4 / 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid
Basic Information
CAS
16422-07-4
Multi CAS
No
Molecular Formula
C8H15N3O4
Molecular Weight
217.220000
Exact Mass
217.106256
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)O)N
InChI
InChI=1S/C8H15N3O4/c1-4(9)7(14)11-5(2)8(15)10-3-6(12)13/h4-5H,3,9H2,1-2H3,(H,10,15)(H,11,14)(H,12,13)/t4-,5-/m0/s1
InChIKey
RLMISHABBKUNFO-WHFBIAKZSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
51.9
TPSA
121.52
LogP / Solubility
WLOGP
-1.96
MLOGP
-1.72
XLogP3
-3.9
Consensus LogP
-2.53
Log S (ESOL)
0.38
Class (ESOL)
Highly soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.04
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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