CAS RN: 1972613-46-9
5-(Piperidino)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.20260519 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP889981
1972613-46-9 / (5-piperidin-1-ylfuran-2-yl)boronic acid
Basic Information
CAS
1972613-46-9
Multi CAS
No
Molecular Formula
C9H14BNO3
Molecular Weight
195.030000
Exact Mass
195.106674
SMILES
B(C1=CC=C(O1)N2CCCCC2)(O)O
InChI
InChI=1S/C9H14BNO3/c12-10(13)8-4-5-9(14-8)11-6-2-1-3-7-11/h4-5,12-13H,1-3,6-7H2
InChIKey
BKXGLLQINSFCNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.6
TPSA
56.84
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.04
XLogP3
-0.05
Consensus LogP
-0.05
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-3.95
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
