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CAS 2225170-10-3 5-(2-Methylimidazol-1-yl)furan-2-boronic acid molecular structure lightbox
CAS RN: 2225170-10-3

5-(2-Methylimidazol-1-yl)furan-2-boronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: LINM890026
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2225170-10-3 / [5-(2-methylimidazol-1-yl)furan-2-yl]boronic acid

Standard CAS: 2225170-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2225170-10-3
Multi CAS
No
Molecular Formula
C8H9BN2O3
Molecular Weight
191.980000
Exact Mass
192.070622
SMILES
B(C1=CC=C(O1)N2C=CN=C2C)(O)O
InChI
InChI=1S/C8H9BN2O3/c1-6-10-4-5-11(6)8-3-2-7(14-8)9(12)13/h2-5,12-13H,1H3
InChIKey
RGHLGCDOHSMLSW-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

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