CAS RN: 2225173-42-0
5-Bromofuran-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.20260324 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB890037
2225173-42-0 / (5-bromofuran-2-yl)boronic acid
Basic Information
CAS
2225173-42-0
Multi CAS
No
Molecular Formula
C4H4BBrO3
Molecular Weight
190.790000
Exact Mass
189.943690
SMILES
B(C1=CC=C(O1)Br)(O)O
InChI
InChI=1S/C4H4BBrO3/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
InChIKey
WKOPXFPGPMMQQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.23
TPSA
53.6
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.28
Consensus LogP
-0.27
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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)
-4.08
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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