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CAS 1021426-42-5 1-[4-(4-Amino-3-methoxyphenyl)piperazin-1-yl]ethanone molecular structure lightbox
CAS RN: 1021426-42-5

1-[4-(4-Amino-3-methoxyphenyl)piperazin-1-yl]ethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260219 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-003411
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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, 5g, 10g, 25g
  • Available purity: ＞97%
  • 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 1021426-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

1021426-42-5 / 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]ethanone

1-(4-(4-amino-3-methoxyphenyl)piperazin-1-yl)ethanone | 4-(4-acetyl-1-piperazinyl)-2-(methyloxy)aniline | 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]ethanone

Standard CAS: 1021426-42-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1021426-42-5
Multi CAS
No
Molecular Formula
C13H19N3O2
Molecular Weight
249.310000
Exact Mass
249.147727
SMILES
CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)N)OC
InChI
InChI=1S/C13H19N3O2/c1-10(17)15-5-7-16(8-6-15)11-3-4-12(14)13(9-11)18-2/h3-4,9H,5-8,14H2,1-2H3
InChIKey
OJCNMAFGNSFBOO-UHFFFAOYSA-N
Synonyms
1-(4-(4-amino-3-methoxyphenyl)piperazin-1-yl)ethanone 4-(4-acetyl-1-piperazinyl)-2-(methyloxy)aniline 1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]ethanone 23HOW335J0 2-Methoxy-4-(4-acetylpiperazin-1-yl)benzenamine

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.87
TPSA
58.8

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.6
Consensus LogP
0.8
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H341 (33.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501

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