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CAS 883546-76-7 C-PYRIDIN-4-YL-C-O-TOLYL-METHYLAMINE molecular structure lightbox
CAS RN: 883546-76-7

C-PYRIDIN-4-YL-C-O-TOLYL-METHYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS883546-76-7
  • Purity/Analytical Methods: >99.0%
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883546-76-7 / (2-methylphenyl)-pyridin-4-ylmethanamine

Standard CAS: 883546-76-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883546-76-7
Multi CAS
No
Molecular Formula
C13H14N2
Molecular Weight
198.260000
Exact Mass
198.115698
InChI
InChI=1S/C13H14N2/c1-10-4-2-3-5-12(10)13(14)11-6-8-15-9-7-11/h2-9,13H,14H2,1H3
InChIKey
ODUGKKIZGXGYDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.45
TPSA
38.91

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
1.8
Consensus LogP
2.13
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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