CAS RN: 1393524-00-9
tert-Butyl (S)-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate
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.20250209 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-049812
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1393524-00-9 / tert-butyl N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]carbamate
Basic Information
CAS
1393524-00-9
Multi CAS
No
Molecular Formula
C8H14F3NO3
Molecular Weight
229.200000
Exact Mass
229.092578
SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C(F)(F)F
InChI
InChI=1S/C8H14F3NO3/c1-7(2,3)15-6(14)12-5(4-13)8(9,10)11/h5,13H,4H2,1-3H3,(H,12,14)/t5-/m0/s1
InChIKey
RTJICTSWXPIQIQ-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.3
TPSA
58.56
LogP / Solubility
WLOGP
1.43
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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