CAS RN: 2225151-99-3
5-(2-Methylpiperidin-1-yl)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.20260503 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM890001
2225151-99-3 / [5-(2-methylpiperidin-1-yl)thiophen-2-yl]boronic acid
Basic Information
CAS
2225151-99-3
Multi CAS
No
Molecular Formula
C10H16BNO2S
Molecular Weight
225.120000
Exact Mass
225.099480
SMILES
B(C1=CC=C(S1)N2CCCCC2C)(O)O
InChI
InChI=1S/C10H16BNO2S/c1-8-4-2-3-7-12(8)10-6-5-9(15-10)11(13)14/h5-6,8,13-14H,2-4,7H2,1H3
InChIKey
VWYHGTNHYPAKLF-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
64.8
TPSA
43.7
LogP / Solubility
WLOGP
0.81
MLOGP
0.71
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.52
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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