CAS RN: 2225155-76-8
5-(Piperidino)thiophene-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.20250722 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP890017
2225155-76-8 / (5-piperidin-1-ylthiophen-2-yl)boronic acid
Basic Information
CAS
2225155-76-8
Multi CAS
No
Molecular Formula
C9H14BNO2S
Molecular Weight
211.090000
Exact Mass
211.083830
SMILES
B(C1=CC=C(S1)N2CCCCC2)(O)O
InChI
InChI=1S/C9H14BNO2S/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
MWBZUSJYLGDNBS-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
60.21
TPSA
43.7
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
0.42
Consensus LogP
0.4
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.71
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
