CAS RN: 157198-79-3
2-(1H-BENZIMIDAZOL-1-YL)PROPANOIC 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.20260209 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS157198-79-3
- Purity/Analytical Methods: >99.0%
157198-79-3 / 2-(benzimidazol-1-yl)propanoic acid
Basic Information
CAS
157198-79-3
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CC(C(=O)O)N1C=NC2=CC=CC=C21
InChI
InChI=1S/C10H10N2O2/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14)
InChIKey
KPWHLUYPAQJXFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.08
TPSA
55.12
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.5
Consensus LogP
1.55
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 157199-59-2 3-METHYL-2-([1-[3-(TRIMETHYLAMMONIO)PROPYL]-4(1H)-QUINOLINYLIDENE]METHYL)-1,3-BENZOTHIAZOL-3-IUM DIIODIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/157199-59-2.gif)
