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CAS 1218227-75-8 N-(o-tolyl)-2-(o-tolylaMino)propanaMide molecular structure lightbox
CAS RN: 1218227-75-8

N-(o-tolyl)-2-(o-tolylaMino)propanaMide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1218227-75-8
  • Purity/Analytical Methods: >99.0%
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1218227-75-8 / 2-(2-methylanilino)-N-(2-methylphenyl)propanamide

Standard CAS: 1218227-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1218227-75-8
Multi CAS
No
Molecular Formula
C17H20N2O
Molecular Weight
268.350000
Exact Mass
268.157563
SMILES
CC1=CC=CC=C1NC(C)C(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C17H20N2O/c1-12-8-4-6-10-15(12)18-14(3)17(20)19-16-11-7-5-9-13(16)2/h4-11,14,18H,1-3H3,(H,19,20)
InChIKey
QRJXVGFMRKTRDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.07
TPSA
41.13

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
3.9
Consensus LogP
3.65
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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