![CAS 1794766-42-9 1-[[2′-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]Methyl]-2-ethoxy-1H-benziMidazole-7-carboxylic-d5 Acid Methyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72621662.gif)
CAS RN: 1794766-42-9
1-[[2′-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]Methyl]-2-ethoxy-1H-benziMidazole-7-carboxylic-d5 Acid Methyl Ester
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.20250502 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1794766-42-9
- Purity/Analytical Methods: >99.0%
1794766-42-9 / methyl 3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzimidazole-4-carboxylate
Basic Information
CAS
1794766-42-9
Multi CAS
No
Molecular Formula
C26H22N4O5
Molecular Weight
475.500000
Exact Mass
475.190404
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)OC
InChI
InChI=1S/C26H22N4O5/c1-3-34-25-27-21-10-6-9-20(24(31)33-2)22(21)30(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-28-26(32)35-29-23/h4-14H,3,15H2,1-2H3,(H,28,29,32)/i1D3,3D2
InChIKey
PCMXVTVLQVGYLX-WNWXXORZSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
26
Fraction Csp3
0.15
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
1
Molar refractivity
129.34
TPSA
112.24
LogP / Solubility
WLOGP
4.28
MLOGP
3.8
XLogP3
4.7
Consensus LogP
4.26
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1794817-45-0 2-Ethoxy-1-[[2′-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]Methyl]benziMidazole-7-carboxylic Acid-d4 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42621661.gif)