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CAS 877-09-8 2,4,5,6-TETRACHLORO-M-XYLENE molecular structure lightbox
CAS RN: 877-09-8

2,4,5,6-TETRACHLORO-M-XYLENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS877-09-8
  • Purity/Analytical Methods: >99.0%
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877-09-8 / 1,2,3,5-tetrachloro-4,6-dimethylbenzene

Standard CAS: 877-09-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
877-09-8
Multi CAS
No
Molecular Formula
C8H6CL4
Molecular Weight
243.900000
Exact Mass
243.919411
InChI
InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3
InChIKey
NTUBJKOTTSFEEV-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Molar refractivity
55.96
TPSA
0.0000

LogP / Solubility

WLOGP
4.92
MLOGP
4.33
XLogP3
5.2
Consensus LogP
4.82
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
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)
-0.72

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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