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CAS 42883-79-4 N-Methyl-N-phenylbutanamide molecular structure lightbox
CAS RN: 42883-79-4

N-Methyl-N-phenylbutanamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS42883-79-4
  • Purity/Analytical Methods: >99.0%
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42883-79-4 / N-methyl-N-phenylbutanamide

Standard CAS: 42883-79-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42883-79-4
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3
InChIKey
NGFPEEPVJGCERE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
54.76
TPSA
20.31

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.06

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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