CAS RN: 1207852-93-4
(2S,4S)-tert-butyl 2-(difluoromethyl)-4-hydroxypyrrolidine-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.20250619 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-022037
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 | Beijing | Inquiry |
1207852-93-4 / tert-butyl (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
(2S,4S)-tert-butyl 2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylate | MFCD29991175 | tert-butyl (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
Basic Information
CAS
1207852-93-4
Multi CAS
Yes
Molecular Formula
C10H17F2NO3
Molecular Weight
237.240000
Exact Mass
237.117650
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(F)F)O
InChI
InChI=1S/C10H17F2NO3/c1-10(2,3)16-9(15)13-5-6(14)4-7(13)8(11)12/h6-8,14H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKey
GRUBQHUBZNSRIH-BQBZGAKWSA-N
Synonyms
(2S,4S)-tert-butyl 2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
MFCD29991175
tert-butyl (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
SCHEMBL376068
GRUBQHUBZNSRIH-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.36
TPSA
49.77
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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