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CAS 25695-84-5 2-PropenaMide, N-Methyl-3-phenyl-, (2E)- molecular structure lightbox
CAS RN: 25695-84-5

2-PropenaMide, N-Methyl-3-phenyl-, (2E)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS25695-84-5
  • Purity/Analytical Methods: >99.0%
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25695-84-5 / (E)-N-methyl-3-phenylprop-2-enamide

Standard CAS: 25695-84-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25695-84-5
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
CNC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C10H11NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7+
InChIKey
JNXLTSSPACJLEG-BQYQJAHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.54
TPSA
29.1

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1.9
Consensus LogP
1.54
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.68

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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