![CAS 2097262-58-1 Benzonitrile, 4-[1-[5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]-3-azetidinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097262-58-1.png)
CAS RN: 2097262-58-1
Benzonitrile, 4-[1-[5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]-3-azetidinyl]-
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251230 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250522 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250205 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250114 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251204 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250727 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250122 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2097262-58-1
- Purity/Analytical Methods: >99.0%
2097262-58-1 / 4-[1-[5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile
Basic Information
CAS
2097262-58-1
Multi CAS
No
Molecular Formula
C25H23F3N4O2
Molecular Weight
468.500000
Exact Mass
468.177310
SMILES
CC1=CC(=C(C=C1C2=C(NC(=N2)C(F)(F)F)COC)C(=O)N3CC(C3)C4=CC=C(C=C4)C#N)C
InChI
InChI=1S/C25H23F3N4O2/c1-14-8-15(2)20(9-19(14)22-21(13-34-3)30-24(31-22)25(26,27)28)23(33)32-11-18(12-32)17-6-4-16(10-29)5-7-17/h4-9,18H,11-13H2,1-3H3,(H,30,31)
InChIKey
YFEOVRCUSPPGFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
119.01
TPSA
82.01
LogP / Solubility
WLOGP
4.97
MLOGP
4.41
XLogP3
3.8
Consensus LogP
4.39
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
FASN inhibitor 1
- CAS RN: 2097262-60-5
- Product Code: starshine_CAS2097262-60-5
- Purity/Analytical method: >99.0%
-
2-((2,6-dimethoxyphenyl)amino)-2-oxoacetic acid(WXC06271)
- CAS RN: 2097273-59-9
- Product Code: SSC-099528
-
(3aR,8aS)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole
- CAS RN: 2097333-76-9
- Product Code: SSC-099536
-
2-(4-(((2,4-dimethylbenzoyl)oxy)methyl)phenyl)acetic acid
- CAS RN: 2097334-16-0
- Product Code: SSC-099538
-
Benzenamine, 4-(4-dibenzofuranyl)-N-[4-(1-naphthalenyl)phenyl]-
- CAS RN: 2097371-73-6
- Product Code: SSC-099543
-
![CAS 2097333-76-9 (3aR,8aS)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097333-76-9.png)
![CAS 2097371-73-6 Benzenamine, 4-(4-dibenzofuranyl)-N-[4-(1-naphthalenyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097371-73-6.png)
