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, 0.25g, 10g, 25g, 1g, 5g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 3 In Stock | Shanghai | Inquiry |
| 1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 5g | >95% | 2 In Stock | Shenzhen | Inquiry |
55477-80-0 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
Basic Information
CAS
55477-80-0
Multi CAS
Yes
Molecular Formula
C9H15NO4
Molecular Weight
201.220000
Exact Mass
201.100108
InChI
InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12)
InChIKey
MGBHVVGQPZDMHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.53
TPSA
64.63
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.5
Consensus LogP
1.25
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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