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CAS 769881-75-6 Pentanamide, 2-amino-N,N,4-trimethyl-, (R)- (9CI) molecular structure lightbox
CAS RN: 769881-75-6

Pentanamide, 2-amino-N,N,4-trimethyl-, (R)- (9CI)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS769881-75-6
  • Purity/Analytical Methods: >99.0%
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769881-75-6 / (2R)-2-amino-N,N,4-trimethylpentanamide

Standard CAS: 769881-75-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
769881-75-6
Multi CAS
Yes
Molecular Formula
C8H18N2O
Molecular Weight
158.240000
Exact Mass
158.141913
InChI
InChI=1S/C8H18N2O/c1-6(2)5-7(8(9)11)10(3)4/h6-7H,5H2,1-4H3,(H2,9,11)/t7-/m1/s1
InChIKey
PMOIPBAKOCMRTO-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.12
TPSA
46.33

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
0.5
Consensus LogP
0.45
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-3.37

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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