[email protected]
CAS 2225181-24-6 5-(2-Methylimidazol-1-yl)thiophene-2-boronic acid molecular structure lightbox
CAS RN: 2225181-24-6

5-(2-Methylimidazol-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.PackageAvailabilityLead TimeInquiry
Batchno.20250101 20mg Out of stock 5-7 business days Inquiry
  • Product code: LINM889620
GET A QUOTE

2225181-24-6 / [5-(2-methylimidazol-1-yl)thiophen-2-yl]boronic acid

Standard CAS: 2225181-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2225181-24-6
Multi CAS
No
Molecular Formula
C8H9BN2O2S
Molecular Weight
208.050000
Exact Mass
208.047779
SMILES
B(C1=CC=C(S1)N2C=CN=C2C)(O)O
InChI
InChI=1S/C8H9BN2O2S/c1-6-10-4-5-11(6)8-3-2-7(14-8)9(12)13/h2-5,12-13H,1H3
InChIKey
KNOJVYHWVJRNFA-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
56
TPSA
58.28

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.07
XLogP3
-0.08
Consensus LogP
-0.08
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
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)
-4.04

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
1.5

Customers Also Viewed

Get In Touch

Contact Us