![CAS 347886-81-1 2-Propenoic acid, 2-Methyl-, 2-[(hexahydro-2-oxo-3,5-Methano-2H-cyclopenta[b]furan-6-yl)oxy]-2-oxoethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/347886-81-1.gif)
CAS RN: 347886-81-1
2-Propenoic acid, 2-Methyl-, 2-[(hexahydro-2-oxo-3,5-Methano-2H-cyclopenta[b]furan-6-yl)oxy]-2-oxoethyl ester
- Product code: SSC-141399
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
347886-81-1 / [2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate
Basic Information
CAS
347886-81-1
Multi CAS
Yes
Molecular Formula
C14H16O6
Molecular Weight
280.270000
Exact Mass
280.094688
InChI
InChI=1S/C14H16O6/c1-6(2)13(16)18-5-10(15)19-11-7-3-8-9(4-7)14(17)20-12(8)11/h7-9,11-12H,1,3-5H2,2H3
InChIKey
RZDMCGPZDGKURQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
65.24
TPSA
78.9
LogP / Solubility
WLOGP
0.6
MLOGP
0.54
XLogP3
1.5
Consensus LogP
0.88
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
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