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CAS 918933-13-8 2-[4-(2-methoxyphenyl)-1-piperazinyl]phenylamine molecular structure lightbox
CAS RN: 918933-13-8

2-[4-(2-methoxyphenyl)-1-piperazinyl]phenylamine

  • Product code: SSC-205381
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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 918933-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

918933-13-8 / 2-[4-(2-methoxyphenyl)piperazin-1-yl]aniline

Standard CAS: 918933-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
918933-13-8
Multi CAS
No
Molecular Formula
C17H21N3O
Molecular Weight
283.370000
Exact Mass
283.168462
InChI
InChI=1S/C17H21N3O/c1-21-17-9-5-4-8-16(17)20-12-10-19(11-13-20)15-7-3-2-6-14(15)18/h2-9H,10-13,18H2,1H3
InChIKey
YOFIYNIDQOTOJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.27
TPSA
41.73

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
2.9
Consensus LogP
2.6
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

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
2.5

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