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CAS 54147-94-3 4-Methylbiphenyl-2-amine molecular structure lightbox
CAS RN: 54147-94-3

4-Methylbiphenyl-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS54147-94-3
  • Purity/Analytical Methods: >99.0%
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54147-94-3 / 5-methyl-2-phenylaniline

Standard CAS: 54147-94-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54147-94-3
Multi CAS
Yes
Molecular Formula
C13H13N
Molecular Weight
183.250000
Exact Mass
183.104799
InChI
InChI=1S/C13H13N/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-9H,14H2,1H3
InChIKey
QNWKYDCMXQSXQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.03
TPSA
26.02

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.2
Consensus LogP
3.1
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

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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