CAS RN: 55660-73-6
2-Fluorobenzene-1,4-diol
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS55660-73-6
- Purity/Analytical Methods: >99.0%
55660-73-6 / 2-fluorobenzene-1,4-diol
Basic Information
CAS
55660-73-6
Multi CAS
No
Molecular Formula
C6FH5O2
Molecular Weight
128.100000
Exact Mass
128.027358
InChI
InChI=1S/C6H5FO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKey
GIMXWZYFIFOCBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.73
TPSA
40.46
LogP / Solubility
WLOGP
1.24
MLOGP
1.08
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-2.62
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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