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CAS 152028-96-1 iodoproxyfan molecular structure lightbox
CAS RN: 152028-96-1

iodoproxyfan

  • Product code: SSC-061817
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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: 0.25g
  • 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 152028-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

152028-96-1 / 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole

Standard CAS: 152028-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152028-96-1
Multi CAS
No
Molecular Formula
C13H15IN2O
Molecular Weight
342.180000
Exact Mass
342.022910
SMILES
C1=CC(=CC=C1COCCCC2=CN=CN2)I
InChI
InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
InChIKey
DCQNAFOCXVCDLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.72
TPSA
37.91

LogP / Solubility

WLOGP
3.16
MLOGP
2.8
XLogP3
2.7
Consensus LogP
2.89
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

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

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