CAS RN: 2439-37-4
L-Leucine, N,N-dimethyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2439-37-4
- Purity/Analytical Methods: >99.0%
2439-37-4 / 2-(dimethylamino)-4-methylpentanoic acid
Basic Information
CAS
2439-37-4
Multi CAS
No
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
SMILES
CC(C)CC(C(=O)O)N(C)C
InChI
InChI=1S/C8H17NO2/c1-6(2)5-7(8(10)11)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)/t7-/m0/s1
InChIKey
FZLYRJBAUQHHIH-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.57
TPSA
40.54
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
-0.7
Consensus LogP
0.42
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-2.95
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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