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CAS 155204-28-7 WAY 100634 molecular structure lightbox
CAS RN: 155204-28-7

WAY 100634

  • Product code: SSC-064504
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 155204-28-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

155204-28-7 / N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine

Standard CAS: 155204-28-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155204-28-7
Multi CAS
No
Molecular Formula
C18H24N4O
Molecular Weight
312.400000
Exact Mass
312.195011
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCNC3=CC=CC=N3
InChI
InChI=1S/C18H24N4O/c1-23-17-7-3-2-6-16(17)22-14-12-21(13-15-22)11-10-20-18-8-4-5-9-19-18/h2-9H,10-15H2,1H3,(H,19,20)
InChIKey
ZOOGISIXBJEBLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
94.37
TPSA
40.63

LogP / Solubility

WLOGP
2.32
MLOGP
2.06
XLogP3
2.8
Consensus LogP
2.39
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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