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CAS 25713-23-9 H-[15N]ALA-OH molecular structure lightbox
CAS RN: 25713-23-9

H-[15N]ALA-OH

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4 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260208 100mg In stock Inquiry
Batchno.20260628 500mg Out of stock Inquiry
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  • Product code: starshine_CAS25713-23-9
  • Purity/Analytical Methods: >99.0%
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25713-23-9 / (2S)-2-(15N)azanylpropanoic acid

Standard CAS: 25713-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25713-23-9
Multi CAS
No
Molecular Formula
C3H7NO2
Molecular Weight
90.090000
Exact Mass
90.044713
SMILES
C[C@@H](C(=O)O)[15NH2]
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i4+1
InChIKey
QNAYBMKLOCPYGJ-GZPBOPPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
21.29
TPSA
63.32

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.53
XLogP3
-3
Consensus LogP
-1.37
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.12
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

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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