CAS RN: 124340-76-7
2-FURAN-2-YL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC 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.20251114 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS124340-76-7
- Purity/Analytical Methods: >99.0%
124340-76-7 / 2-(furan-2-yl)-1H-benzimidazole-4-carboxylic acid
Basic Information
CAS
124340-76-7
Multi CAS
No
Molecular Formula
C12H8N2O3
Molecular Weight
228.200000
Exact Mass
228.053492
SMILES
C1=CC(=C2C(=C1)NC(=N2)C3=CC=CO3)C(=O)O
InChI
InChI=1S/C12H8N2O3/c15-12(16)7-3-1-4-8-10(7)14-11(13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16)
InChIKey
PJIHCVZPLGUTGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.76
TPSA
79.12
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
1.8
Consensus LogP
2.18
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1H-Benzimidazole-7-carboxylic acid, 2-(2-pyridinyl)-
- CAS RN: 124340-85-8
- Product Code: starshine_CAS124340-85-8
- Purity/Analytical method: >99.0%
-
2-PYRIDIN-4-YL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
- CAS RN: 124340-93-8
- Product Code: starshine_CAS124340-93-8
- Purity/Analytical method: >99.0%
-
-
Benzoic acid, 2-(methylamino)-3-nitro- (9CI)
- CAS RN: 124341-38-4
- Product Code: SSC-028270
-
-
5,6,7-TRIMETHOXY-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
- CAS RN: 124346-74-3
- Product Code: starshine_CAS124346-74-3
- Purity/Analytical method: >99.0%
![CAS 124346-74-3 5,6,7-TRIMETHOXY-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/124346-74-3.gif)