CAS RN: 52454-78-1
L-Glutamic acid 1-ethyl ester
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.20251106 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS52454-78-1
- Purity/Analytical Methods: >99.0%
52454-78-1 / 4-amino-5-ethoxy-5-oxopentanoic acid
Basic Information
CAS
52454-78-1
Multi CAS
Yes
Molecular Formula
C7H13NO4
Molecular Weight
175.180000
Exact Mass
175.084458
InChI
InChI=1S/C7H13NO4/c1-2-12-7(11)5(8)3-4-6(9)10/h5H,2-4,8H2,1H3,(H,9,10)/t5-/m0/s1
InChIKey
SYQNQPHXKWWZFS-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.48
TPSA
89.62
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.23
XLogP3
-2.8
Consensus LogP
-1.1
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
Soluble
ADME
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)
-3.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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