CAS RN: 2101782-54-9
1-ethynyl-1-(propan-2-yl)cyclopropane
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.20260314 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-099975
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 |
2101782-54-9 / 1-ethynyl-1-propan-2-ylcyclopropane
Basic Information
CAS
2101782-54-9
Multi CAS
No
Molecular Formula
C8H12
Molecular Weight
108.180000
Exact Mass
108.093900
SMILES
CC(C)C1(CC1)C#C
InChI
InChI=1S/C8H12/c1-4-8(5-6-8)7(2)3/h1,7H,5-6H2,2-3H3
InChIKey
IDGZVEYABMOXAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
Molar refractivity
35.34
TPSA
0.0000
LogP / Solubility
WLOGP
2.06
MLOGP
1.8
XLogP3
2.8
Consensus LogP
2.22
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-1.92
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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