![CAS 942195-83-7 4-(benzyloxy)-2-methyl-1H-benzo[d]imidazole-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942195-83-7.gif)
CAS RN: 942195-83-7
4-(benzyloxy)-2-methyl-1H-benzo[d]imidazole-6-carboxylic acid
- Product code: SSC-208825
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
942195-83-7 / 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxylic acid
Basic Information
CAS
942195-83-7
Multi CAS
No
Molecular Formula
C16H14N2O3
Molecular Weight
282.290000
Exact Mass
282.100442
InChI
InChI=1S/C16H14N2O3/c1-10-17-13-7-12(16(19)20)8-14(15(13)18-10)21-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKey
ALVXSXAHKPXTSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.56
TPSA
75.21
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
2.9
Consensus LogP
2.94
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly 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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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7-hydroxy-N,N,2-triMethyl-3-tosyl-3H-benzo[d]iMidazole-5-carboxaMide
- CAS RN: 942195-86-0
- Product Code: SSC-208828
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![CAS 942195-86-0 7-hydroxy-N,N,2-triMethyl-3-tosyl-3H-benzo[d]iMidazole-5-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942195-86-0.gif)
