![CAS 892489-52-0 trans-4-[4-[[[5-[(3,4-Difluorophenyl)amino]-1,3,4-oxadiazol-2-yl]carbonyl]amino]phenyl]cyclohexaneacetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/892489-52-0.gif)
CAS RN: 892489-52-0
trans-4-[4-[[[5-[(3,4-Difluorophenyl)amino]-1,3,4-oxadiazol-2-yl]carbonyl]amino]phenyl]cyclohexaneacetic acid
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250517 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250204 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250401 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250505 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250915 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250328 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260610 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS892489-52-0
- Purity/Analytical Methods: >99.0%
892489-52-0 / 2-[4-[4-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
Basic Information
CAS
892489-52-0
Multi CAS
Yes
Molecular Formula
C23F2H22N4O4
Molecular Weight
456.400000
Exact Mass
456.160912
InChI
InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)
InChIKey
NGEBYTLALFOQKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
115.29
TPSA
117.35
LogP / Solubility
WLOGP
5.09
MLOGP
4.51
XLogP3
4.7
Consensus LogP
4.77
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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