CAS RN: 36838-63-8
N-(3-Indolylacetyl)-L-leucine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250830 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS36838-63-8
- Purity/Analytical Methods: >99.0%
36838-63-8 / (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylpentanoic acid
Basic Information
CAS
36838-63-8
Multi CAS
Yes
Molecular Formula
C16H20N2O3
Molecular Weight
288.340000
Exact Mass
288.147393
InChI
InChI=1S/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKey
HCZNPUHZYPPINM-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
3
Molar refractivity
81.02
TPSA
82.19
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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