CAS RN: 35305-74-9
N-Acetyl-L-glutamine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS35305-74-9
- Purity/Analytical Methods: >99.0%
35305-74-9 / 2-acetamido-5-amino-5-oxopentanoic acid
Basic Information
CAS
35305-74-9
Multi CAS
Yes
Molecular Formula
C7H12N2O4
Molecular Weight
188.180000
Exact Mass
188.079707
InChI
InChI=1S/C7H12N2O4/c1-4(10)9-6(11)3-2-5(8)7(12)13/h5H,2-3,8H2,1H3,(H,12,13)(H,9,10,11)/t5-/m0/s1
InChIKey
SGKPDOQKJBOJTE-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.67
TPSA
109.49
LogP / Solubility
WLOGP
-1.16
MLOGP
-1.02
XLogP3
-1.4
Consensus LogP
-1.19
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-4.69
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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