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CAS 955-96-4 4-AMINO-N-(4-METHYLPHENYL)BENZAMIDE molecular structure lightbox
CAS RN: 955-96-4

4-AMINO-N-(4-METHYLPHENYL)BENZAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS955-96-4
  • Purity/Analytical Methods: >99.0%
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955-96-4 / 4-amino-N-(4-methylphenyl)benzamide

Standard CAS: 955-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
955-96-4
Multi CAS
No
Molecular Formula
C14H14N2O
Molecular Weight
226.270000
Exact Mass
226.110613
InChI
InChI=1S/C14H14N2O/c1-10-2-8-13(9-3-10)16-14(17)11-4-6-12(15)7-5-11/h2-9H,15H2,1H3,(H,16,17)
InChIKey
AGXXZAVPKXLZKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.99
TPSA
55.12

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

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

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