CAS RN: 7558-63-6

L-glutamic acid monoammonium

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8 package records7 with current stock2 grade groups
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  • Product code: starshine_CAS7558-63-6
  • Purity/Analytical Methods: >99.0%
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7558-63-6 / azanium 4-amino-5-hydroxy-5-oxopentanoate

Standard CAS: 7558-63-6 Multi CAS: Yes

Basic Information

CAS
7558-63-6
Multi CAS
Yes
Molecular Formula
C5H12N2O4
Molecular Weight
164.160000
Exact Mass
164.079707
InChI
InChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1
InChIKey
PHKGGXPMPXXISP-DFWYDOINSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
35.84
TPSA
139.95

LogP / Solubility

WLOGP
-1.7
MLOGP
-1.5
XLogP3
-1.7
Consensus LogP
-1.63
Log S (ESOL)
0.47
Class (ESOL)
Highly soluble
Log S (Ali)
0.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.2
Class (SILICOS-IT)
Highly 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)
-4.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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