![CAS 1403474-70-3 1H-BenziMidazole-7-carboxylic acid, 1-[[2′-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]Methyl] -2-ethoxy-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403474-70-3.gif)
CAS RN: 1403474-70-3
1H-BenziMidazole-7-carboxylic acid, 1-[[2′-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]Methyl] -2-ethoxy-, ethyl ester
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-050897
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1403474-70-3 / ethyl 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
Basic Information
CAS
1403474-70-3
Multi CAS
No
Molecular Formula
C27H24N4O5
Molecular Weight
484.500000
Exact Mass
484.174670
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OCC
InChI
InChI=1S/C27H24N4O5/c1-3-34-25(32)21-10-7-11-22-23(21)31(26(28-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-29-27(33)36-30-24/h5-15H,3-4,16H2,1-2H3,(H,29,30,33)
InChIKey
OWLFNOWZZXCCNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
26
Fraction Csp3
0.19
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
1
Molar refractivity
133.96
TPSA
112.24
LogP / Solubility
WLOGP
4.67
MLOGP
4.14
XLogP3
5.1
Consensus LogP
4.64
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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