![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)
CAS RN: 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
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.20250210 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1794817-45-0
- Purity/Analytical Methods: >99.0%
1794817-45-0 / 2-ethoxy-3-[[2,3,5,6-tetradeuterio-4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Basic Information
CAS
1794817-45-0
Multi CAS
No
Molecular Formula
C25H20N4O5
Molecular Weight
460.500000
Exact Mass
460.168477
SMILES
[2H]C1=C(C(=C(C(=C1CN2C3=C(C=CC=C3N=C2OCC)C(=O)O)[2H])[2H])C4=CC=CC=C4C5=NOC(=O)N5)[2H]
InChI
InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)/i10D,11D,12D,13D
InChIKey
KGSXMPPBFPAXLY-ZGAVCIBUSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
26
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
124.96
TPSA
123.24
LogP / Solubility
WLOGP
4.19
MLOGP
3.72
XLogP3
4.4
Consensus LogP
4.1
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
2-(N-Acetoacetylamino)ethanol-d4
- CAS RN: 1794960-21-6
- Product Code: starshine_CAS1794960-21-6
- Purity/Analytical method: >99.0%
-
Benzo[c]phenanthrene-d5
- CAS RN: 1795011-61-8
- Product Code: starshine_CAS1795011-61-8
- Purity/Analytical method: >99.0%
-
2,3,5,6-tetradeuterio-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
- CAS RN: 1795021-05-4
- Product Code: starshine_CAS1795021-05-4
- Purity/Analytical method: >99.0%
-
N-Benzyl Epinephrine-d3
- CAS RN: 1795027-87-0
- Product Code: starshine_CAS1795027-87-0
- Purity/Analytical method: >99.0%
-
Formoterol EP Impurity F
- CAS RN: 1795129-59-7
- Product Code: starshine_CAS1795129-59-7
- Purity/Analytical method: >99.0%
-
p-[1-(DiMethyl-d6)]aMinoethyliMino)aniline
- CAS RN: 1795133-90-2
- Product Code: starshine_CAS1795133-90-2
- Purity/Analytical method: >99.0%
![CAS 1795011-61-8 Benzo[c]phenanthrene-d5 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62557814.gif)
![CAS 1795133-90-2 p-[1-(DiMethyl-d6)]aMinoethyliMino)aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72620973.gif)