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CAS 594-89-8 1,1,1,2,2,3,3-Heptachloropropane molecular structure lightbox
CAS RN: 594-89-8

1,1,1,2,2,3,3-Heptachloropropane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-167864
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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: ≥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 594-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

594-89-8 / 1,1,1,2,2,3,3-heptachloropropane

Standard CAS: 594-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
594-89-8
Multi CAS
No
Molecular Formula
C3HCL7
Molecular Weight
285.200000
Exact Mass
283.786844
InChI
InChI=1S/C3HCl7/c4-1(5)2(6,7)3(8,9)10/h1H
InChIKey
YFIIENAGGCUHIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
50.22
TPSA
0.0000

LogP / Solubility

WLOGP
4.33
MLOGP
3.82
XLogP3
4.6
Consensus LogP
4.25
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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)
-1.38

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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