CAS RN: 202407-34-9

L-SERINE-13C3, 15N

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Batchno.20250417 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS202407-34-9
  • Purity/Analytical Methods: >99.0%
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202407-34-9 / (2S)-2-(15N)azanyl-3-hydroxy(1,2,3-13C3)propanoic acid

Standard CAS: 202407-34-9 Multi CAS: No

Basic Information

CAS
202407-34-9
Multi CAS
No
Molecular Formula
C3H7NO3
Molecular Weight
109.064000
Exact Mass
109.049692
SMILES
[13CH2]([13C@@H]([13C](=O)O)[15NH2])O
InChI
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i1+1,2+1,3+1,4+1
InChIKey
MTCFGRXMJLQNBG-UVYXLFMMSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
22.7
TPSA
83.55

LogP / Solubility

WLOGP
-1.61
MLOGP
-1.43
XLogP3
-3.1
Consensus LogP
-2.05
Log S (ESOL)
0.65
Class (ESOL)
Highly soluble
Log S (Ali)
0.74
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.75
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)
-4.5

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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