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CAS 17356-09-1 1-IODO-4-ISOPROPYLBENZENE molecular structure lightbox
CAS RN: 17356-09-1

1-IODO-4-ISOPROPYLBENZENE

  • Product code: SSC-076214
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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: 25g
  • Available purity: ≥98%
  • 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 17356-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

17356-09-1 / 1-iodo-4-propan-2-ylbenzene

Standard CAS: 17356-09-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17356-09-1
Multi CAS
No
Molecular Formula
C9H11I
Molecular Weight
246.090000
Exact Mass
245.990550
SMILES
CC(C)C1=CC=C(C=C1)I
InChI
InChI=1S/C9H11I/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKey
PQJOSEVTIKYWLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
Molar refractivity
53.25
TPSA
0.0000

LogP / Solubility

WLOGP
3.41
MLOGP
3.01
XLogP3
4.4
Consensus LogP
3.61
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly 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)
-1.8

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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