CAS RN: 84851-37-6

N1-isoamylleucinamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS84851-37-6
  • Purity/Analytical Methods: >99.0%
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84851-37-6 / 2-amino-4-methyl-N-(3-methylbutyl)pentanamide

Standard CAS: 84851-37-6 Multi CAS: Yes

Basic Information

CAS
84851-37-6
Multi CAS
Yes
Molecular Formula
C11H24N2O
Molecular Weight
200.320000
Exact Mass
200.188863
InChI
InChI=1S/C11H24N2O/c1-8(2)5-6-13-11(14)10(12)7-9(3)4/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t10-/m0/s1
InChIKey
HCDLAJHOIWLVLK-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.9
TPSA
55.12

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
2
Consensus LogP
1.62
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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