CAS RN: 2360830-96-0
Methanesulfonic acid, 1,1,1-trifluoro-, 7-chloro-1-dibenzofuranyl 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.20250818 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-114884
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2360830-96-0 / (7-chlorodibenzofuran-1-yl) trifluoromethanesulfonate
Basic Information
CAS
2360830-96-0
Multi CAS
No
Molecular Formula
C13H6ClF3O4S
Molecular Weight
350.700000
Exact Mass
349.962742
SMILES
C1=CC2=C(C3=C(O2)C=C(C=C3)Cl)C(=C1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C13H6ClF3O4S/c14-7-4-5-8-11(6-7)20-9-2-1-3-10(12(8)9)21-22(18,19)13(15,16)17/h1-6H
InChIKey
CZCOKDSJKGQWKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
74.33
TPSA
56.51
LogP / Solubility
WLOGP
4.47
MLOGP
3.95
XLogP3
5
Consensus LogP
4.47
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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)
-1.69
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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