CAS RN: 24331-71-3
N,N-DIMETHYLPIVALAMIDE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS24331-71-3
- Purity/Analytical Methods: >99.0%
24331-71-3 / N,N,2,2-tetramethylpropanamide
Basic Information
CAS
24331-71-3
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
SMILES
CC(C)(C)C(=O)N(C)C
InChI
InChI=1S/C7H15NO/c1-7(2,3)6(9)8(4)5/h1-5H3
InChIKey
RLVGHTRVYWUWSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
38.15
TPSA
20.31
LogP / Solubility
WLOGP
1.12
MLOGP
0.98
XLogP3
1.1
Consensus LogP
1.07
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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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