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CAS RN: 1401067-08-0
R)-2-(2-tert-butoxy-2-oxoethyl)-5,5,5-trifluoropentanoic acid
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.20251121 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-050597
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1401067-08-0 / (2R)-5,5,5-trifluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
Basic Information
CAS
1401067-08-0
Multi CAS
No
Molecular Formula
C11H17F3O4
Molecular Weight
270.240000
Exact Mass
270.107894
SMILES
CC(C)(C)OC(=O)C[C@@H](CCC(F)(F)F)C(=O)O
InChI
InChI=1S/C11H17F3O4/c1-10(2,3)18-8(15)6-7(9(16)17)4-5-11(12,13)14/h7H,4-6H2,1-3H3,(H,16,17)/t7-/m1/s1
InChIKey
NZVOZDZZGYJHBP-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.88
TPSA
63.6
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
2.4
Consensus LogP
2.53
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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