CAS RN: 705949-54-8
Benzamide, 3-fluoro-2-hydroxy- (9CI)
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS705949-54-8
- Purity/Analytical Methods: >99.0%
705949-54-8 / 3-fluoro-2-hydroxybenzamide
Basic Information
CAS
705949-54-8
Multi CAS
No
Molecular Formula
C7FH6NO2
Molecular Weight
155.130000
Exact Mass
155.038257
InChI
InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)10)7(9)11/h1-3,10H,(H2,9,11)
InChIKey
UHENYZCNMUXRHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.58
TPSA
63.32
LogP / Solubility
WLOGP
0.63
MLOGP
0.55
XLogP3
1.1
Consensus LogP
0.76
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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