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CAS 400-05-5 1,4-Dichloro-2,5-difluorobenzene molecular structure lightbox
CAS RN: 400-05-5

1,4-Dichloro-2,5-difluorobenzene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS400-05-5
  • Purity/Analytical Methods: >99.0%
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400-05-5 / 1,4-dichloro-2,5-difluorobenzene

Standard CAS: 400-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
400-05-5
Multi CAS
No
Molecular Formula
C6H2CL2F2
Molecular Weight
182.980000
Exact Mass
181.950162
InChI
InChI=1S/C6H2Cl2F2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
InChIKey
ZETUVEHHRFNQKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
36.38
TPSA
0.0000

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
3.4
Consensus LogP
3.18
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-1.51

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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