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CAS 1125409-95-1 1-(4-Iodophenyl)-4-methylpiperazine molecular structure lightbox
CAS RN: 1125409-95-1

1-(4-Iodophenyl)-4-methylpiperazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250917 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-012922
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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: ＞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 1125409-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1125409-95-1 / 1-(4-iodophenyl)-4-methylpiperazine

1-(4-Iodophenyl)-4-methylpiperazine | DTXSID501294594 | RefChem:425687

Standard CAS: 1125409-95-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1125409-95-1
Multi CAS
No
Molecular Formula
C11H15IN2
Molecular Weight
302.150000
Exact Mass
302.028000
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)I
InChI
InChI=1S/C11H15IN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKey
WHDKRPSSEZGGMR-UHFFFAOYSA-N
Synonyms
1-(4-Iodophenyl)-4-methylpiperazine DTXSID501294594 RefChem:425687 DTXCID001725138 108-588-1

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
68.87
TPSA
6.48

LogP / Solubility

WLOGP
2.04
MLOGP
1.81
XLogP3
2.5
Consensus LogP
2.12
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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