CAS RN: 869489-04-3
(S)-4,4-difluoropyrrolidine-2-carbonitrile hydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-196297
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, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 2 In Stock | Shanghai | Inquiry |
| 10g | >95% | 2 In Stock | Beijing | Inquiry |
| 25g | >95% | 2 In Stock | Shenzhen | Inquiry |
869489-04-3 / (2S)-4,4-difluoropyrrolidine-2-carbonitrile;hydrochloride
Basic Information
CAS
869489-04-3
Multi CAS
Yes
Molecular Formula
C5H7CLF2N2
Molecular Weight
168.570000
Exact Mass
168.026582
InChI
InChI=1S/C5H6F2N2.ClH/c6-5(7)1-4(2-8)9-3-5;/h4,9H,1,3H2;1H/t4-;/m0./s1
InChIKey
BOGMTOHWIVLVJE-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.22
TPSA
35.82
LogP / Solubility
WLOGP
0.93
MLOGP
0.81
XLogP3
0.93
Consensus LogP
0.89
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.09
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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