CAS RN: 73335-64-5

N-Methyl-(5-bromopyrid-3-yl)methylamine

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Batchno.20251022 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS73335-64-5
  • Purity/Analytical Methods: >99.0%
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73335-64-5 / 1-(5-bromo-3-pyridinyl)-N-methylmethanamine

Standard CAS: 73335-64-5 Multi CAS: Yes

Basic Information

CAS
73335-64-5
Multi CAS
Yes
Molecular Formula
BC7H9Rn2
Molecular Weight
201.060000
Exact Mass
199.994910
InChI
InChI=1S/C7H9BrN2/c1-9-3-6-2-7(8)5-10-4-6/h2,4-5,9H,3H2,1H3
InChIKey
UHDHQYPCHVXIKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.7
TPSA
24.92

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
0.9
Consensus LogP
1.28
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.84

Drug-likeness / Medicinal Chemistry

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

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