CAS RN: 97-14-3

N-ACETYL-DL-SERINE

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1 package records1 with current stock1 grade group
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Batchno.20250523 1g In stock Shanghai, Hebei Inquiry
  • Product code: starshine_CAS97-14-3
  • Purity/Analytical Methods: >99.0%
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97-14-3 / 2-acetamido-3-hydroxypropanoic acid

Standard CAS: 97-14-3 Multi CAS: No

Basic Information

CAS
97-14-3
Multi CAS
No
Molecular Formula
C5H9NO4
Molecular Weight
147.130000
Exact Mass
147.053158
InChI
InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)
InChIKey
JJIHLJJYMXLCOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.33
TPSA
86.63

LogP / Solubility

WLOGP
-1.43
MLOGP
-1.27
XLogP3
-1.2
Consensus LogP
-1.3
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
0.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
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)
-4.63

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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