CAS RN: 2225151-64-2
4-(3-Methylpiperidin-1-yl)furan-2-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.20260406 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM889997
2225151-64-2 / [4-(3-methylpiperidin-1-yl)furan-2-yl]boronic acid
Basic Information
CAS
2225151-64-2
Multi CAS
No
Molecular Formula
C10H16BNO3
Molecular Weight
209.050000
Exact Mass
209.122324
SMILES
B(C1=CC(=CO1)N2CCCC(C2)C)(O)O
InChI
InChI=1S/C10H16BNO3/c1-8-3-2-4-12(6-8)9-5-10(11(13)14)15-7-9/h5,7-8,13-14H,2-4,6H2,1H3
InChIKey
IHDSBTNDTJBSSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.14
TPSA
56.84
LogP / Solubility
WLOGP
0.2
MLOGP
0.17
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.86
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
2
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