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CAS 5452-87-9 N-Methyl-N,N-bis(2-pyridylethyl)amine molecular structure lightbox
CAS RN: 5452-87-9

N-Methyl-N,N-bis(2-pyridylethyl)amine

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13 package records10 with current stock3 grade groups
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Batchno.20260508 100mg Out of stock Inquiry
Batchno.20251209 10mg In stock Inquiry
Batchno.20250116 250mg In stock Inquiry
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Batchno.20251226 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250502 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260613 250mg In stock Shanghai Inquiry
Batchno.20250728 5g Out of stock Inquiry
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Batchno.20251019 100mg In stock Shanghai, Shandong Inquiry
Batchno.20260311 1g Out of stock 5-7 business days Inquiry
Batchno.20260109 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5452-87-9
  • Purity/Analytical Methods: >99.0%
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5452-87-9 / N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine

Standard CAS: 5452-87-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5452-87-9
Multi CAS
Yes
Molecular Formula
C15H19N3
Molecular Weight
241.330000
Exact Mass
241.157898
InChI
InChI=1S/C15H19N3/c1-18(12-8-14-6-2-4-10-16-14)13-9-15-7-3-5-11-17-15/h2-7,10-11H,8-9,12-13H2,1H3
InChIKey
PQHKIDBZBKQYMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
73.38
TPSA
29.02

LogP / Solubility

WLOGP
2.19
MLOGP
1.94
XLogP3
2.1
Consensus LogP
2.08
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.63

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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