CAS RN: 670275-85-1
tert-butyl 4-(4-(trifluoromethoxy)benzoyl)piperidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260506 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS670275-85-1
- Purity/Analytical Methods: >99.0%
670275-85-1 / tert-butyl 4-[4-(trifluoromethoxy)benzoyl]piperidine-1-carboxylate
Basic Information
CAS
670275-85-1
Multi CAS
No
Molecular Formula
C18F3H22NO4
Molecular Weight
373.400000
Exact Mass
373.150093
InChI
InChI=1S/C18H22F3NO4/c1-17(2,3)26-16(24)22-10-8-13(9-11-22)15(23)12-4-6-14(7-5-12)25-18(19,20)21/h4-7,13H,8-11H2,1-3H3
InChIKey
YUAJRYVPKJFWGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
87.99
TPSA
55.84
LogP / Solubility
WLOGP
4.42
MLOGP
3.91
XLogP3
4.1
Consensus LogP
4.14
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.86
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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