CAS RN: 1848-90-4
(3-METHYL-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL)ACETIC 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.20250430 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1848-90-4
- Purity/Analytical Methods: >99.0%
1848-90-4 / 2-(3-methyl-2-oxobenzimidazol-1-yl)acetic acid
Basic Information
CAS
1848-90-4
Multi CAS
No
Molecular Formula
C10H10N2O3
Molecular Weight
206.200000
Exact Mass
206.069142
SMILES
CN1C2=CC=CC=C2N(C1=O)CC(=O)O
InChI
InChI=1S/C10H10N2O3/c1-11-7-4-2-3-5-8(7)12(10(11)15)6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey
LAPYIDMXQINFIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.81
TPSA
64.23
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
1.1
Consensus LogP
0.63
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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3-(CARBOXYMETHYL)-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL]ACETIC ACID
- CAS RN: 1848-99-3
- Product Code: SSC-085417
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![CAS 1848-99-3 3-(CARBOXYMETHYL)-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1848-99-3.gif)
