CAS RN: 42564-36-3
OXO-(2-OXO-TETRAHYDRO-FURAN-3-YL)-ACETIC ACID ETHYL ESTER
- Product code: SSC-150885
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, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 10
- 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 | -- | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 4 In Stock | Beijing | Inquiry |
| 0.25g | -- | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 5g | -- | 4 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 4 In Stock | Beijing | Inquiry |
| 10g | -- | 4 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 4 In Stock | Shanghai | Inquiry |
| 1g | -- | 3 In Stock | Shenzhen | Inquiry |
42564-36-3 / ethyl 2-oxo-2-(2-oxooxolan-3-yl)acetate
Basic Information
CAS
42564-36-3
Multi CAS
No
Molecular Formula
C8H10O5
Molecular Weight
186.160000
Exact Mass
186.052823
InChI
InChI=1S/C8H10O5/c1-2-12-8(11)6(9)5-3-4-13-7(5)10/h5H,2-4H2,1H3
InChIKey
UBJLUTQBSGFTBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
40.71
TPSA
69.67
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.28
XLogP3
0.6
Consensus LogP
0.0000
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
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)
-4.08
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
2
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