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CAS 7379-84-2 1,4-Bis(2-chloroethyl)benzene molecular structure lightbox
CAS RN: 7379-84-2

1,4-Bis(2-chloroethyl)benzene

  • Product code: SSC-183216
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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: ≥96%
  • 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 7379-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Hong Kong Inquiry

7379-84-2 / 1,4-bis(2-chloroethyl)benzene

Standard CAS: 7379-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7379-84-2
Multi CAS
No
Molecular Formula
C10H12CL2
Molecular Weight
203.100000
Exact Mass
202.031606
InChI
InChI=1S/C10H12Cl2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-8H2
InChIKey
GGMHFGIZPKYWGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
Molar refractivity
55.29
TPSA
0.0000

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.6
Consensus LogP
3.24
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-1.65

Drug-likeness / Medicinal Chemistry

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

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