CAS RN: 255903-84-5
2-Pyrrolidinone,3,3-difluoro-5-(hydroxymethyl)-,(5S)-(9CI)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250526 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260609 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250330 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251024 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250826 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-121715
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 | Shanghai | Inquiry |
255903-84-5 / (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one
Basic Information
CAS
255903-84-5
Multi CAS
No
Molecular Formula
C5H7F2NO2
Molecular Weight
151.110000
Exact Mass
151.044485
SMILES
C1[C@H](NC(=O)C1(F)F)CO
InChI
InChI=1S/C5H7F2NO2/c6-5(7)1-3(2-9)8-4(5)10/h3,9H,1-2H2,(H,8,10)/t3-/m0/s1
InChIKey
CMRXZAKSZIVSCC-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.58
TPSA
49.33
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.44
XLogP3
-0.3
Consensus LogP
-0.41
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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