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CAS 44975-46-4 N,N-DIISOPROPYLACRYLAMIDE molecular structure lightbox
CAS RN: 44975-46-4

N,N-DIISOPROPYLACRYLAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS44975-46-4
  • Purity/Analytical Methods: >99.0%
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44975-46-4 / N,N-di(propan-2-yl)prop-2-enamide

Standard CAS: 44975-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
44975-46-4
Multi CAS
No
Molecular Formula
C9H17NO
Molecular Weight
155.240000
Exact Mass
155.131014
InChI
InChI=1S/C9H17NO/c1-6-9(11)10(7(2)3)8(4)5/h6-8H,1H2,2-5H3
InChIKey
YHOSNAAUPKDRMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
47.32
TPSA
20.31

LogP / Solubility

WLOGP
1.82
MLOGP
1.59
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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