CAS RN: 287958-89-8
1-methyl-2-oxocyclobutane-1-carbonitrile
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.20260617 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-130515
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 |
287958-89-8 / 1-methyl-2-oxocyclobutane-1-carbonitrile
Basic Information
CAS
287958-89-8
Multi CAS
No
Molecular Formula
C6H7NO
Molecular Weight
109.130000
Exact Mass
109.052764
InChI
InChI=1S/C6H7NO/c1-6(4-7)3-2-5(6)8/h2-3H2,1H3
InChIKey
URDYAKCLRNWBEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
27.96
TPSA
40.86
LogP / Solubility
WLOGP
0.88
MLOGP
0.76
XLogP3
0.4
Consensus LogP
0.68
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-2.76
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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