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CAS 1420961-53-0 (5-Fluoro-pyridin-2-yl)-diMethyl-aMine molecular structure lightbox
CAS RN: 1420961-53-0

(5-Fluoro-pyridin-2-yl)-diMethyl-aMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1420961-53-0
  • Purity/Analytical Methods: >99.0%
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1420961-53-0 / 5-fluoro-N,N-dimethylpyridin-2-amine

Standard CAS: 1420961-53-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1420961-53-0
Multi CAS
No
Molecular Formula
C7H9FN2
Molecular Weight
140.160000
Exact Mass
140.074976
SMILES
CN(C)C1=NC=C(C=C1)F
InChI
InChI=1S/C7H9FN2/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,1-2H3
InChIKey
UFXKBIYOMZQDHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.52
TPSA
16.13

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

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

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