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CAS 706-78-5 Octachlorocyclopentene molecular structure lightbox
CAS RN: 706-78-5

Octachlorocyclopentene

  • Product code: SSC-180355
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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: 5g
  • 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 706-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

706-78-5 / 1,2,3,3,4,4,5,5-octachlorocyclopentene

Standard CAS: 706-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
706-78-5
Multi CAS
No
Molecular Formula
C5CL8
Molecular Weight
343.700000
Exact Mass
343.744921
InChI
InChI=1S/C5Cl8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKey
DMZRCHJVWAKCAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.6
Molar refractivity
62.04
TPSA
0.0000

LogP / Solubility

WLOGP
5.21
MLOGP
4.6
XLogP3
4.6
Consensus LogP
4.8
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12

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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