CAS RN: 2621932-47-4
Methanesulfonic acid, 1,1,1-trifluoro-, 8-ethyl-7-fluoro-3-(methoxymethoxy)-1-naphthalenyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250923 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-123401
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2621932-47-4 / [8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] trifluoromethanesulfonate
Basic Information
CAS
2621932-47-4
Multi CAS
No
Molecular Formula
C15H14F4O5S
Molecular Weight
382.300000
Exact Mass
382.049807
SMILES
CCC1=C(C=CC2=CC(=CC(=C21)OS(=O)(=O)C(F)(F)F)OCOC)F
InChI
InChI=1S/C15H14F4O5S/c1-3-11-12(16)5-4-9-6-10(23-8-22-2)7-13(14(9)11)24-25(20,21)15(17,18)19/h4-7H,3,8H2,1-2H3
InChIKey
WVADUPIXAXUYGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
81.39
TPSA
61.83
LogP / Solubility
WLOGP
3.75
MLOGP
3.32
XLogP3
4.7
Consensus LogP
3.92
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 2621932-60-1 1,3,2-Dioxaborolane, 2-[8-ethyl-3-(methoxymethoxy)-1-naphthalenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2621932-60-1.gif)
![CAS 2621936-17-0 1,3,2-Dioxaborolane, 2-[8-fluoro-3-(methoxymethoxy)-1-naphthalenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2621936-17-0.gif)