![CAS 174671-93-3 7-fluorobenzo[c][1,2]oxaborol-1(3H)-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174671-93-3.gif)
CAS RN: 174671-93-3
7-fluorobenzo[c][1,2]oxaborol-1(3H)-ol
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250926 | 50mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS174671-93-3
- Purity/Analytical Methods: >99.0%
174671-93-3 / 7-fluoro-1-hydroxy-3H-2,1-benzoxaborole
Basic Information
CAS
174671-93-3
Multi CAS
No
Molecular Formula
C7H6BFO2
Molecular Weight
151.930000
Exact Mass
152.044488
SMILES
B1(C2=C(CO1)C=CC=C2F)O
InChI
InChI=1S/C7H6BFO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3,10H,4H2
InChIKey
LIGKOZHDSGAHME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.8
TPSA
29.46
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
XLogP3
0.04
Consensus LogP
0.04
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-3.62
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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![CAS 174677-83-9 (1S,2S)-N,N-Bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamine, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174677-83-9.gif)
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