CAS RN: 2096339-69-2
6-(Cyclopentyloxy)-2-fluoropyridine-3-boronic 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.20250913 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2096339-69-2
- Purity/Analytical Methods: >99.0%
2096339-69-2 / (6-cyclopentyloxy-2-fluoro-3-pyridinyl)boronic acid
Basic Information
CAS
2096339-69-2
Multi CAS
No
Molecular Formula
C10H13BFNO3
Molecular Weight
225.030000
Exact Mass
225.097252
SMILES
B(C1=C(N=C(C=C1)OC2CCCC2)F)(O)O
InChI
InChI=1S/C10H13BFNO3/c12-10-8(11(14)15)5-6-9(13-10)16-7-3-1-2-4-7/h5-7,14-15H,1-4H2
InChIKey
CEKGPMMGDBABTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.9
TPSA
62.58
LogP / Solubility
WLOGP
0.22
MLOGP
0.2
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.94
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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