CAS RN: 1215071-22-9
1 – Fluoro – 3 – hydroxycyclobutanecarbonitrile
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.20250730 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-024007
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 |
1215071-22-9 / 1-fluoro-3-hydroxycyclobutane-1-carbonitrile
Basic Information
CAS
1215071-22-9
Multi CAS
No
Molecular Formula
C5H6FNO
Molecular Weight
115.110000
Exact Mass
115.043342
SMILES
C1C(CC1(C#N)F)O
InChI
InChI=1S/C5H6FNO/c6-5(3-7)1-4(8)2-5/h4,8H,1-2H2
InChIKey
ZSLHSSUBFNVWMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.69
TPSA
44.02
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
0.1
Consensus LogP
0.26
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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