CAS RN: 2225173-53-3
5-(Imidazol-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.20250219 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINI890039
2225173-53-3 / (5-imidazol-1-ylthiophen-2-yl)boronic acid
Basic Information
CAS
2225173-53-3
Multi CAS
No
Molecular Formula
C7H7BN2O2S
Molecular Weight
194.020000
Exact Mass
194.032129
SMILES
B(C1=CC=C(S1)N2C=CN=C2)(O)O
InChI
InChI=1S/C7H7BN2O2S/c11-8(12)6-1-2-7(13-6)10-4-3-9-5-10/h1-5,11-12H
InChIKey
VFIROEWWPTYCFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
51.27
TPSA
58.28
LogP / Solubility
WLOGP
-0.39
MLOGP
-0.34
XLogP3
-0.39
Consensus LogP
-0.37
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-4.18
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
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