CAS RN: 1194032-23-9
(2S)-1-Boc-4,4-difluoro-2-methylpyrrolidine-2-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251204 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260322 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250313 | 250mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250314 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250103 | 5g | Out of stock | Inquiry |
- Product code: SSC-019952
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 | Shenzhen | Inquiry |
1194032-23-9 / (2S)-4,4-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
(2S)-1-BOC-4,4-DIFLUORO-2-METHYLPYRROLIDINE-2-CARBOXYLIC ACID | MFCD22566252 | (S)-1-(tert-Butoxycarbonyl)-4,4-difluoro-2-methylpyrrolidine-2-carboxylic acid
Basic Information
CAS
1194032-23-9
Multi CAS
Yes
Molecular Formula
C11H17F2NO4
Molecular Weight
265.250000
Exact Mass
265.112564
SMILES
C[C@]1(CC(CN1C(=O)OC(C)(C)C)(F)F)C(=O)O
InChI
InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14-6-11(12,13)5-10(14,4)7(15)16/h5-6H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKey
JWWNJDSEXLKVLH-JTQLQIEISA-N
Synonyms
(2S)-1-BOC-4,4-DIFLUORO-2-METHYLPYRROLIDINE-2-CARBOXYLIC ACID
MFCD22566252
(S)-1-(tert-Butoxycarbonyl)-4,4-difluoro-2-methylpyrrolidine-2-carboxylic acid
(2S)-1-tert-butoxycarbonyl-4,4-difluoro-2-methyl-pyrrolidine-2-carboxylic acid
(2S)-4,4-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.54
TPSA
66.84
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
1.7
Consensus LogP
1.89
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.84
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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