![CAS 1665288-66-3 6-fluorobenzo[d]thiazol-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32719585.gif)
CAS RN: 1665288-66-3
6-fluorobenzo[d]thiazol-4-ol
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS1665288-66-3
- Purity/Analytical Methods: >99.0%
1665288-66-3 / 6-fluoro-1,3-benzothiazol-4-ol
Basic Information
CAS
1665288-66-3
Multi CAS
No
Molecular Formula
C7H4FNOS
Molecular Weight
169.180000
Exact Mass
168.999763
SMILES
C1=C(C=C2C(=C1O)N=CS2)F
InChI
InChI=1S/C7H4FNOS/c8-4-1-5(10)7-6(2-4)11-3-9-7/h1-3,10H
InChIKey
AVCRXULQWFNUSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.24
TPSA
33.12
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
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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