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CAS 21754-55-2 L-Norleucine methyl ester molecular structure lightbox
CAS RN: 21754-55-2

L-Norleucine methyl ester

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS21754-55-2
  • Purity/Analytical Methods: >99.0%
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21754-55-2 / methyl (2S)-2-aminohexanoate

Standard CAS: 21754-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21754-55-2
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
SMILES
CCCC[C@@H](C(=O)OC)N
InChI
InChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKey
TVZNFYXAPXOARC-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.52
TPSA
52.32

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
1
Consensus LogP
0.76
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.13

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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