CAS RN: 944470-56-8
(S)-TERT-BUTYL (1-(3-FLUOROPHENYL)-3-HYDROXYPROPAN-2-YL)CARBAMATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250108 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-209299
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
944470-56-8 / tert-butyl N-[(2S)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
Basic Information
CAS
944470-56-8
Multi CAS
Yes
Molecular Formula
C14FH20NO3
Molecular Weight
269.310000
Exact Mass
269.142722
InChI
InChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16-12(9-17)8-10-5-4-6-11(15)7-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKey
HFOFNJNYQFXYDX-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.35
TPSA
58.56
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
2.4
Consensus LogP
2.21
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
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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