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CAS 381236-90-4 [(4-fluorophenyl)(pyridin-3-yl)methyl](methyl)amine molecular structure lightbox
CAS RN: 381236-90-4

[(4-fluorophenyl)(pyridin-3-yl)methyl](methyl)amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS381236-90-4
  • Purity/Analytical Methods: >99.0%
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381236-90-4 / 1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine

Standard CAS: 381236-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
381236-90-4
Multi CAS
No
Molecular Formula
C13FH13N2
Molecular Weight
216.250000
Exact Mass
216.106277
InChI
InChI=1S/C13H13FN2/c1-15-13(11-3-2-8-16-9-11)10-4-6-12(14)7-5-10/h2-9,13,15H,1H3
InChIKey
DABUWFPZDWZBCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.54
TPSA
24.92

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2
Consensus LogP
2.25
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.24

Drug-likeness / Medicinal Chemistry

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

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