CAS RN: 2743-60-4

ethyl L-leucinate

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Batchno.20250509 100mg / 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2743-60-4
  • Purity/Analytical Methods: >99.0%
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2743-60-4 / ethyl (2S)-2-amino-4-methylpentanoate

Standard CAS: 2743-60-4 Multi CAS: Yes

Basic Information

CAS
2743-60-4
Multi CAS
Yes
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
InChI
InChI=1S/C8H17NO2/c1-4-11-8(10)7(9)5-6(2)3/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1
InChIKey
QIGLJVBIRIXQRN-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.06
TPSA
52.32

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
1.3
Consensus LogP
1.01
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.04

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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