CAS RN: 2166050-86-6
tert-butyl (S)-(4,4-difluoropyrrolidin-3-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.20260516 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-103889
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2166050-86-6 / tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
Basic Information
CAS
2166050-86-6
Multi CAS
No
Molecular Formula
C9H16F2N2O2
Molecular Weight
222.230000
Exact Mass
222.117984
SMILES
CC(C)(C)OC(=O)N[C@H]1CNCC1(F)F
InChI
InChI=1S/C9H16F2N2O2/c1-8(2,3)15-7(14)13-6-4-12-5-9(6,10)11/h6,12H,4-5H2,1-3H3,(H,13,14)/t6-/m0/s1
InChIKey
AYPWPGOPAZUJDF-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.97
TPSA
50.36
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.28
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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