CAS RN: 489408-02-8
YDL223C
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250302 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251029 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260525 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251018 | 5g | In stock | Chengdu | Inquiry |
- Product code: starshine_CAS489408-02-8
- Purity/Analytical Methods: >99.0%
489408-02-8 / 2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Basic Information
CAS
489408-02-8
Multi CAS
No
Molecular Formula
C16F3H17N4O2S
Molecular Weight
386.400000
Exact Mass
386.102431
InChI
InChI=1S/C16H17F3N4O2S/c1-8-6-11(16(17,18)19)22-23(8)7-12(24)21-15-13(14(20)25)9-4-2-3-5-10(9)26-15/h6H,2-5,7H2,1H3,(H2,20,25)(H,21,24)
InChIKey
PHLXSNIEQIKENK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.07
TPSA
90.01
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
3.2
Consensus LogP
2.88
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
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
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 489429-73-4 2-(Trifluoroacetyl)-4-(trifluoromethyl)aniline, 1-[2-Amino-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethan-1-one, 4-Amino-3-(trifluoroacetyl)benzotrifluoride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/489429-73-4.gif)
