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CAS 846023-55-0 4-Methoxy-3-(3-(4-Methylpiperazin-1-yl)propoxy)aniline molecular structure lightbox
CAS RN: 846023-55-0

4-Methoxy-3-(3-(4-Methylpiperazin-1-yl)propoxy)aniline

  • Product code: SSC-192183
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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 846023-55-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

846023-55-0 / 4-methoxy-3-[3-(4-methylpiperazin-1-yl)propoxy]aniline

Standard CAS: 846023-55-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
846023-55-0
Multi CAS
No
Molecular Formula
C15H25N3O2
Molecular Weight
279.380000
Exact Mass
279.194677
InChI
InChI=1S/C15H25N3O2/c1-17-7-9-18(10-8-17)6-3-11-20-15-12-13(16)4-5-14(15)19-2/h4-5,12H,3,6-11,16H2,1-2H3
InChIKey
DDWYYSNSEJHVFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.46
TPSA
50.96

LogP / Solubility

WLOGP
1.29
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.28
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
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)
-3.51

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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