CAS RN: 86161-49-1
L-Z-Isoleucinamide
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.20260310 | 1g / 5g / 10g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINL899135
86161-49-1 / benzyl N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]carbamate
Basic Information
CAS
86161-49-1
Multi CAS
Yes
Molecular Formula
C14H20N2O3
Molecular Weight
264.320000
Exact Mass
264.147393
InChI
InChI=1S/C14H20N2O3/c1-3-10(2)12(13(15)17)16-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H2,15,17)(H,16,18)/t10-,12-/m0/s1
InChIKey
PDGQPWKDTCRXMR-JQWIXIFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.2
TPSA
81.42
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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