CAS RN: 82979-45-1
methyl 2-chloro-2-cyclopropylideneacetate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251107 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-190958
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 | Hong Kong | Inquiry |
82979-45-1 / methyl 2-chloro-2-cyclopropylideneacetate
Basic Information
CAS
82979-45-1
Multi CAS
No
Molecular Formula
C6H7CLO2
Molecular Weight
146.570000
Exact Mass
146.013457
InChI
InChI=1S/C6H7ClO2/c1-9-6(8)5(7)4-2-3-4/h2-3H2,1H3
InChIKey
JHISBEHOSHGCCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.13
TPSA
26.3
LogP / Solubility
WLOGP
1.45
MLOGP
1.27
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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