![CAS 1408002-86-7 [(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1408002-86-7.gif)
CAS RN: 1408002-86-7
[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
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.20250113 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-051289
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1408002-86-7 / [(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
Basic Information
CAS
1408002-86-7
Multi CAS
No
Molecular Formula
C6H11F2NO
Molecular Weight
151.150000
Exact Mass
151.080870
SMILES
CN1CC(C[C@@H]1CO)(F)F
InChI
InChI=1S/C6H11F2NO/c1-9-4-6(7,8)2-5(9)3-10/h5,10H,2-4H2,1H3/t5-/m1/s1
InChIKey
XTBIVKQOFIPRQX-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.07
TPSA
23.47
LogP / Solubility
WLOGP
0.32
MLOGP
0.27
XLogP3
0.4
Consensus LogP
0.33
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
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)
-3.42
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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![CAS 1408057-44-2 [(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1408057-44-2.gif)
