CAS RN: 26793-34-0
POLY(N,N-DIMETHYL ACRYLAMIDE)
Product Availability
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2 package records2 with current stock2 grade groups
- Product code: starshine_CAS26793-34-0
- Purity/Analytical Methods: >99.0%
26793-34-0 / N,N,2-trimethylbutanamide
Basic Information
CAS
26793-34-0
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
SMILES
CCC(C)C(=O)N(C)C
InChI
InChI=1S/C7H15NO/c1-5-6(2)7(9)8(3)4/h6H,5H2,1-4H3
InChIKey
CJBSHJOOFLPMKG-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
1.1
Consensus LogP
1.07
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
2
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