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CAS 14341-79-8 DL-GLUTAMIC-2,3,3,4,4-D5 ACID molecular structure lightbox
CAS RN: 14341-79-8

DL-GLUTAMIC-2,3,3,4,4-D5 ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 5mg / 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS14341-79-8
  • Purity/Analytical Methods: >99.0%
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14341-79-8 / 2-amino-2,3,3,4,4-pentadeuteriopentanedioic acid

Standard CAS: 14341-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14341-79-8
Multi CAS
No
Molecular Formula
C5H9NO4
Molecular Weight
152.160000
Exact Mass
152.084542
SMILES
[2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])(C(=O)O)N
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/i1D2,2D2,3D
InChIKey
WHUUTDBJXJRKMK-UXXIZXEISA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.48
TPSA
100.62

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.65
XLogP3
-3.7
Consensus LogP
-1.7
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
Class (SILICOS-IT)
Very 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)
-4.14

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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