CAS RN: 1824647-97-3
2-cyclopropyl-4-fluorophenylboronic 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.20260610 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1824647-97-3
- Purity/Analytical Methods: >99.0%
1824647-97-3 / (2-cyclopropyl-4-fluorophenyl)boronic acid
Basic Information
CAS
1824647-97-3
Multi CAS
No
Molecular Formula
C9H10BFO2
Molecular Weight
179.990000
Exact Mass
180.075788
SMILES
B(C1=C(C=C(C=C1)F)C2CC2)(O)O
InChI
InChI=1S/C9H10BFO2/c11-7-3-4-9(10(12)13)8(5-7)6-1-2-6/h3-6,12-13H,1-2H2
InChIKey
YGCHLJNVHYOGGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.2
TPSA
40.46
LogP / Solubility
WLOGP
0.38
MLOGP
0.33
XLogP3
0.38
Consensus LogP
0.36
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-3.55
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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