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CAS 42599-17-7 trans-1-Iodo-1-octene, ≥95.0% (GC) molecular structure lightbox
CAS RN: 42599-17-7

trans-1-Iodo-1-octene, ≥95.0% (GC)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250311 1g Out of stock 15 business days Inquiry
  • Product code: SSC-150915
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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 42599-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

42599-17-7 / (E)-1-iodooct-1-ene

Standard CAS: 42599-17-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42599-17-7
Multi CAS
Yes
Molecular Formula
C8H15I
Molecular Weight
238.110000
Exact Mass
238.021850
InChI
InChI=1S/C8H15I/c1-2-3-4-5-6-7-8-9/h7-8H,2-6H2,1H3/b8-7+
InChIKey
SJZDDNSUIVLYIN-BQYQJAHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
5
Molar refractivity
51.92
TPSA
0.0000

LogP / Solubility

WLOGP
3.91
MLOGP
3.44
XLogP3
5.1
Consensus LogP
4.15
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

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

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