CAS RN: 5370-28-5

ButanaMide, N,N,3-triMethyl-

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Batchno.20260326 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5370-28-5
  • Purity/Analytical Methods: >99.0%
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5370-28-5 / N,N,3-trimethylbutanamide

Standard CAS: 5370-28-5 Multi CAS: No

Basic Information

CAS
5370-28-5
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
InChI
InChI=1S/C7H15NO/c1-6(2)5-7(9)8(3)4/h6H,5H2,1-4H3
InChIKey
LVQDLURAEDSMES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
38.15
TPSA
20.31

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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