![CAS 2095128-20-2 Hexanoic acid, 3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl]methyl]phenoxy]-, (3R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095128-20-2.png)
CAS RN: 2095128-20-2
Hexanoic acid, 3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl]methyl]phenoxy]-, (3R)-
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251202 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251211 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250226 | 1mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260517 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250626 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260420 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2095128-20-2
- Purity/Analytical Methods: >99.0%
2095128-20-2 / (3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
Basic Information
CAS
2095128-20-2
Multi CAS
No
Molecular Formula
C25H27F3N2O3
Molecular Weight
460.500000
Exact Mass
460.197377
SMILES
CC1=CN=C(N1CC2=CC=CC=C2OCCC[C@@H](C)CC(=O)O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
InChIKey
FMOPHFSPINWSOV-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.36
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
119.09
TPSA
64.35
LogP / Solubility
WLOGP
6.2
MLOGP
5.48
XLogP3
5.5
Consensus LogP
5.73
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-7.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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