CAS RN: 64165-64-6
DL-PROPARGYLGLYCINE
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.20250113 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: starshine_CAS64165-64-6
- Purity/Analytical Methods: >99.0%
64165-64-6 / 2-aminopent-4-ynoic acid
Basic Information
CAS
64165-64-6
Multi CAS
Yes
Molecular Formula
C5H7NO2
Molecular Weight
113.110000
Exact Mass
113.047678
InChI
InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)
InChIKey
DGYHPLMPMRKMPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.06
TPSA
63.32
LogP / Solubility
WLOGP
-0.58
MLOGP
-0.52
XLogP3
-2.8
Consensus LogP
-1.3
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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