CAS RN: 1588480-37-8
(S)-4,4-Difluoropyrrolidine-2-carboxylic acid hydrochloride
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.20250807 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250924 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251013 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260413 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260207 | 5g | Out of stock | Inquiry |
- Product code: SSC-067027
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 |
1588480-37-8 / (2S)-4,4-difluoropyrrolidine-2-carboxylic acid;hydrochloride
Basic Information
CAS
1588480-37-8
Multi CAS
No
Molecular Formula
C5H8ClF2NO2
Molecular Weight
187.570000
Exact Mass
187.021163
SMILES
C1[C@H](NCC1(F)F)C(=O)O.Cl
InChI
InChI=1S/C5H7F2NO2.ClH/c6-5(7)1-3(4(9)10)8-2-5;/h3,8H,1-2H2,(H,9,10);1H/t3-;/m0./s1
InChIKey
QGRXWQRKPNNHMU-DFWYDOINSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.24
TPSA
49.33
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
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)
-3.52
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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