CAS RN: 2173996-75-1
(3S,4S)-3-methyl-4-(trifluoromethyl)pyrrolidine hydrochloride
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.20250403 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-104968
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 | Beijing | Inquiry |
2173996-75-1 / (3S,4S)-3-methyl-4-(trifluoromethyl)pyrrolidine;hydrochloride
Basic Information
CAS
2173996-75-1
Multi CAS
No
Molecular Formula
C6H11ClF3N
Molecular Weight
189.600000
Exact Mass
189.053212
SMILES
C[C@@H]1CNC[C@H]1C(F)(F)F.Cl
InChI
InChI=1S/C6H10F3N.ClH/c1-4-2-10-3-5(4)6(7,8)9;/h4-5,10H,2-3H2,1H3;1H/t4-,5-;/m1./s1
InChIKey
KOZPUODVMUHNEA-TYSVMGFPSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.83
TPSA
12.03
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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