CAS RN: 38689-30-4
H-D-LEU-D-LEU-OH
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS38689-30-4
- Purity/Analytical Methods: >99.0%
38689-30-4 / 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
Basic Information
CAS
38689-30-4
Multi CAS
Yes
Molecular Formula
C12H24N2O3
Molecular Weight
244.330000
Exact Mass
244.178693
InChI
InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m1/s1
InChIKey
LCPYQJIKPJDLLB-NXEZZACHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
66.45
TPSA
92.42
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
-1.5
Consensus LogP
0.11
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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