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CAS 612-03-3 N-methyl-N-(4-methylphenyl)acetamide molecular structure lightbox
CAS RN: 612-03-3

N-methyl-N-(4-methylphenyl)acetamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS612-03-3
  • Purity/Analytical Methods: >99.0%
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612-03-3 / N-methyl-N-(4-methylphenyl)acetamide

Standard CAS: 612-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
612-03-3
Multi CAS
No
Molecular Formula
C10H13NO
Molecular Weight
163.220000
Exact Mass
163.099714
InChI
InChI=1S/C10H13NO/c1-8-4-6-10(7-5-8)11(3)9(2)12/h4-7H,1-3H3
InChIKey
ZMYCGFKAPZHNPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.26
TPSA
20.31

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.5
Consensus LogP
1.74
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.31

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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