CAS RN: 2140264-93-1
methyl (3r,4r)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hcl
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.20260612 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-102607
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 | Shanghai | Inquiry |
2140264-93-1 / methyl (3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylate;hydrochloride
Basic Information
CAS
2140264-93-1
Multi CAS
No
Molecular Formula
C7H11ClF3NO2
Molecular Weight
233.610000
Exact Mass
233.043041
SMILES
COC(=O)[C@H]1CNC[C@@H]1C(F)(F)F.Cl
InChI
InChI=1S/C7H10F3NO2.ClH/c1-13-6(12)4-2-11-3-5(4)7(8,9)10;/h4-5,11H,2-3H2,1H3;1H/t4-,5-;/m0./s1
InChIKey
RQQYZTONTAQRGS-FHAQVOQBSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.17
TPSA
38.33
LogP / Solubility
WLOGP
0.98
MLOGP
0.87
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-3.45
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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