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CAS 55538-69-7 1,2-dichloro-4-phenoxy-benzene molecular structure lightbox
CAS RN: 55538-69-7

1,2-dichloro-4-phenoxy-benzene

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 200mg Out of stock 5-7 business days Inquiry
  • Product code: LIND926923
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55538-69-7 / 1,2-dichloro-4-phenoxybenzene

Standard CAS: 55538-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55538-69-7
Multi CAS
No
Molecular Formula
C12H8CL2O
Molecular Weight
239.090000
Exact Mass
237.995220
InChI
InChI=1S/C12H8Cl2O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H
InChIKey
QFQLZVAAQOJUFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62.98
TPSA
9.23

LogP / Solubility

WLOGP
4.79
MLOGP
4.22
XLogP3
4.9
Consensus LogP
4.64
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.78

Drug-likeness / Medicinal Chemistry

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

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