CAS RN: 824-69-1
2,5-DICHLOROHYDROQUINONE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS824-69-1
- Purity/Analytical Methods: >99.0%
824-69-1 / 2,5-dichlorobenzene-1,4-diol
Basic Information
CAS
824-69-1
Multi CAS
Yes
Molecular Formula
C6H4CL2O2
Molecular Weight
179.000000
Exact Mass
177.958835
InChI
InChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
InChIKey
AYNPIRVEWMUJDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.79
TPSA
40.46
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-2.1
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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