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: 10g, 25g, 100g, 500g, 1000g, 5g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 500g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 1000g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 3 In Stock | Hong Kong | Inquiry |
924-50-5 / methyl 3-methylbut-2-enoate
Basic Information
CAS
924-50-5
Multi CAS
Yes
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
InChI
InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3
InChIKey
FZIBCCGGICGWBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.45
TPSA
26.3
LogP / Solubility
WLOGP
1.13
MLOGP
0.98
XLogP3
1.6
Consensus LogP
1.24
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-2.62
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
