CAS RN: 303126-97-8
SR 0987
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260625 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260622 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250219 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251009 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260404 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS303126-97-8
- Purity/Analytical Methods: >99.0%
303126-97-8 / 2-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
Basic Information
CAS
303126-97-8
Multi CAS
No
Molecular Formula
C16H10CLF6NO2
Molecular Weight
397.700000
Exact Mass
397.030425
InChI
InChI=1S/C16H10ClF6NO2/c17-12-4-2-1-3-11(12)13(25)24-10-7-5-9(6-8-10)14(26,15(18,19)20)16(21,22)23/h1-8,26H,(H,24,25)
InChIKey
IZVBONMVWLTLNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
81.85
TPSA
49.33
LogP / Solubility
WLOGP
4.9
MLOGP
4.34
XLogP3
4.6
Consensus LogP
4.61
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.66
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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