CAS RN: 4033-40-3
N-Acetyl-L-asparagine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS4033-40-3
- Purity/Analytical Methods: >99.0%
4033-40-3 / 2-acetamido-4-amino-4-oxobutanoic acid
Basic Information
CAS
4033-40-3
Multi CAS
Yes
Molecular Formula
C6H10N2O4
Molecular Weight
174.150000
Exact Mass
174.064057
InChI
InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1
InChIKey
HXFOXFJUNFFYMO-BYPYZUCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.05
TPSA
109.49
LogP / Solubility
WLOGP
-1.55
MLOGP
-1.37
XLogP3
-1.8
Consensus LogP
-1.57
Log S (ESOL)
0.32
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.01
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)
-4.88
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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- Product Code: starshine_CAS4038-15-7
- Purity/Analytical method: >99.0%
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