CAS RN: 32221-81-1

Monosodium glutamate

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  • Product code: starshine_CAS32221-81-1
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32221-81-1 / sodium;2-aminopentanedioate;hydron

Standard CAS: 32221-81-1 Multi CAS: Yes

Basic Information

CAS
32221-81-1
Multi CAS
Yes
Molecular Formula
C5H8NNAO4
Molecular Weight
169.110000
Exact Mass
169.035102
InChI
InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKey
LPUQAYUQRXPFSQ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
28.34
TPSA
106.28

LogP / Solubility

WLOGP
-6.29
MLOGP
-5.54
XLogP3
-6.29
Consensus LogP
-6.04
Log S (ESOL)
3.34
Class (ESOL)
Highly soluble
Log S (Ali)
3.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.98
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)
-8.22

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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