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, 1g, 5g, 10g, 25g, 0.25g, 1000g
- Available purity: >95%
- Inventory rows with stock: 12
- 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 | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 4 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
80866-48-4 / methyl 3-cyclopropylprop-2-ynoate
Basic Information
CAS
80866-48-4
Multi CAS
No
Molecular Formula
C7H8O2
Molecular Weight
124.140000
Exact Mass
124.052429
InChI
InChI=1S/C7H8O2/c1-9-7(8)5-4-6-2-3-6/h6H,2-3H2,1H3
InChIKey
JXHTVVYMKULOIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
32.52
TPSA
26.3
LogP / Solubility
WLOGP
0.57
MLOGP
0.49
XLogP3
1.7
Consensus LogP
0.92
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
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)
-3.07
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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