CAS RN: 2225178-77-6
2-Fluoro-4-(cyclopentyl)phenylboronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251202 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225178-77-6
- Purity/Analytical Methods: >99.0%
2225178-77-6 / (4-cyclopentyl-2-fluorophenyl)boronic acid
Basic Information
CAS
2225178-77-6
Multi CAS
No
Molecular Formula
C11H14BFO2
Molecular Weight
208.040000
Exact Mass
208.107088
SMILES
B(C1=C(C=C(C=C1)C2CCCC2)F)(O)O
InChI
InChI=1S/C11H14BFO2/c13-11-7-9(8-3-1-2-4-8)5-6-10(11)12(14)15/h5-8,14-15H,1-4H2
InChIKey
PABXKRMZVZLYSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.43
TPSA
40.46
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.16
Consensus LogP
1.11
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 2225708-89-2 4,9-Dibromo-2,7-di(2,5,8,11,14,17,20-heptaoxadocosan-22-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225708-89-2.gif)