CAS RN: 2225179-58-6
4-(2-Methylimidazol-1-yl)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.20260319 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM890066
2225179-58-6 / [4-(2-methylimidazol-1-yl)furan-2-yl]boronic acid
Basic Information
CAS
2225179-58-6
Multi CAS
No
Molecular Formula
C8H9BN2O3
Molecular Weight
191.980000
Exact Mass
192.070622
SMILES
B(C1=CC(=CO1)N2C=CN=C2C)(O)O
InChI
InChI=1S/C8H9BN2O3/c1-6-10-2-3-11(6)7-4-8(9(12)13)14-5-7/h2-5,12-13H,1H3
InChIKey
SJFKHQHIQLVUNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
50.39
TPSA
71.42
LogP / Solubility
WLOGP
-0.55
MLOGP
-0.48
XLogP3
-0.55
Consensus LogP
-0.53
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.28
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
Customers Also Viewed
-
4-(2-Methylimidazol-1-yl)thiophene-2-boronic acid
- CAS RN: 2225173-01-1
- Product Code: LINM890035
-
4-(2-Methylpiperidin-1-yl)furan-2-boronic acid
- CAS RN: 2225151-73-3
- Product Code: LINM889998
-
4-(2-Methylpiperidin-1-yl)thiophene-2-boronic acid
- CAS RN: 2225152-28-1
- Product Code: LINM890004
-
-
-
