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CAS 50299-12-2 H-THR-LEU-OH molecular structure lightbox
CAS RN: 50299-12-2

H-THR-LEU-OH

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7 package records6 with current stock2 grade groups
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Batchno.20260111 100mg In stock Inquiry
Batchno.20250325 1g Out of stock Inquiry
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Batchno.20250104 100mg In stock Shanghai Inquiry
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Batchno.20251213 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS50299-12-2
  • Purity/Analytical Methods: >99.0%
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50299-12-2 / 2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylpentanoic acid

Standard CAS: 50299-12-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50299-12-2
Multi CAS
Yes
Molecular Formula
C10H20N2O4
Molecular Weight
232.280000
Exact Mass
232.142307
InChI
InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+,8+/m1/s1
InChIKey
BQBCIBCLXBKYHW-CSMHCCOUSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
58.68
TPSA
112.65

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.6
XLogP3
-2.7
Consensus LogP
-1.33
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-4.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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