CAS RN: 2168525-92-4
UT-34
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250329 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260408 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260426 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260123 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250914 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2168525-92-4
- Purity/Analytical Methods: >99.0%
2168525-92-4 / (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
Basic Information
CAS
2168525-92-4
Multi CAS
No
Molecular Formula
C15H12F4N4O2
Molecular Weight
356.270000
Exact Mass
356.089638
SMILES
C[C@](CN1C=C(C=N1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
InChI
InChI=1S/C15H12F4N4O2/c1-14(25,8-23-7-10(16)6-21-23)13(24)22-11-3-2-9(5-20)12(4-11)15(17,18)19/h2-4,6-7,25H,8H2,1H3,(H,22,24)/t14-/m0/s1
InChIKey
YDRMSDHDYRAUBR-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.6
TPSA
90.94
LogP / Solubility
WLOGP
2.3
MLOGP
2.04
XLogP3
1.3
Consensus LogP
1.88
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.26
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
-
6-Isoquinolinecarboxylic acid, 8-fluoro-
- CAS RN: 2168863-96-3
- Product Code: starshine_CAS2168863-96-3
- Purity/Analytical method: >99.0%
-
1-({[(tert-butoxy)carbonyl]amino}methyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
- CAS RN: 2168970-99-6
- Product Code: SSC-104296
-
-
-
Benzene, 1-bromo-3-chloro-5-nitro-2-(trifluoromethyl)-
- CAS RN: 2169178-32-7
- Product Code: SSC-104334
-
Ethanone, 1-[4-[[3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl]thio]-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]-
- CAS RN: 2169223-48-5
- Product Code: starshine_CAS2169223-48-5
- Purity/Analytical method: >99.0%
![CAS 2168970-99-6 1-({[(tert-butoxy)carbonyl]amino}methyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2168970-99-6.png)
![CAS 2169223-48-5 Ethanone, 1-[4-[[3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl]thio]-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2169223-48-5.png)