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: 1g, 5g, 10g, 25g, 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
922-67-8 / methyl prop-2-ynoate
Basic Information
CAS
922-67-8
Multi CAS
Yes
Molecular Formula
C4H4O2
Molecular Weight
84.070000
Exact Mass
84.021129
InChI
InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3
InChIKey
IMAKHNTVDGLIRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
20.85
TPSA
26.3
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.2
XLogP3
0.6
Consensus LogP
0.06
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.03
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)
-3.38
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
