![CAS 1352718-74-1 Spiro[bicyclo[2.2.1]hept[5]ene-2,2’-[1,3]dioxolan]-5-yl Trifluoromethanesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1352718-74-1.gif)
CAS RN: 1352718-74-1
Spiro[bicyclo[2.2.1]hept[5]ene-2,2’-[1,3]dioxolan]-5-yl Trifluoromethanesulfonate
- Product code: SSC-043362
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: 5g, 0.25g, 0.1g, 1g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
1352718-74-1 / spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-yl trifluoromethanesulfonate
Basic Information
CAS
1352718-74-1
Multi CAS
No
Molecular Formula
C10H11F3O5S
Molecular Weight
300.250000
Exact Mass
300.027929
SMILES
C1COC2(O1)CC3CC2C=C3OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H11F3O5S/c11-10(12,13)19(14,15)18-8-4-7-3-6(8)5-9(7)16-1-2-17-9/h4,6-7H,1-3,5H2
InChIKey
DYIIVCKZQXRGKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
54.99
TPSA
61.83
LogP / Solubility
WLOGP
1.52
MLOGP
1.35
XLogP3
1.4
Consensus LogP
1.42
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5
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