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CAS 654084-41-0 4-AMino-5-Chloro-2-Methoxy-N-(Piperidin-4-YlMethyl)BenzaMide molecular structure lightbox
CAS RN: 654084-41-0

4-AMino-5-Chloro-2-Methoxy-N-(Piperidin-4-YlMethyl)BenzaMide

  • Product code: SSC-175075
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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 654084-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

654084-41-0 / 4-amino-5-chloro-2-methoxy-N-(piperidin-4-ylmethyl)benzamide

Standard CAS: 654084-41-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
654084-41-0
Multi CAS
Yes
Molecular Formula
C14H20CLN3O2
Molecular Weight
297.780000
Exact Mass
297.124405
InChI
InChI=1S/C14H20ClN3O2.ClH/c1-20-13-7-12(16)11(15)6-10(13)14(19)18-8-9-2-4-17-5-3-9;/h6-7,9,17H,2-5,8,16H2,1H3,(H,18,19);1H
InChIKey
AGVUBESCBQMUAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
80.34
TPSA
76.38

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
2.2
Consensus LogP
1.78
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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