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CAS 31024-91-6 DL-ALANINE-2-D1 molecular structure lightbox
CAS RN: 31024-91-6

DL-ALANINE-2-D1

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260328 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS31024-91-6
  • Purity/Analytical Methods: >99.0%
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31024-91-6 / 2-amino-2-deuteriopropanoic acid

Standard CAS: 31024-91-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31024-91-6
Multi CAS
Yes
Molecular Formula
C3H7NO2
Molecular Weight
90.100000
Exact Mass
90.053955
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i2D
InChIKey
QNAYBMKLOCPYGJ-VMNATFBRSA-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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