CAS RN: 1223397-11-2
WZB117
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260624 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260318 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250201 | 250mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20250708 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250912 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260413 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-025289
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 | Hong Kong | Inquiry |
1223397-11-2 / [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
Basic Information
CAS
1223397-11-2
Multi CAS
No
Molecular Formula
C20H13FO6
Molecular Weight
368.300000
Exact Mass
368.069616
SMILES
C1=CC(=CC(=C1)O)C(=O)OC2=C(C(=CC=C2)F)OC(=O)C3=CC(=CC=C3)O
InChI
InChI=1S/C20H13FO6/c21-16-8-3-9-17(26-19(24)12-4-1-6-14(22)10-12)18(16)27-20(25)13-5-2-7-15(23)11-13/h1-11,22-23H
InChIKey
FRSWCCBXIHFKKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
92.53
TPSA
93.06
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
4.1
Consensus LogP
3.68
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36
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
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501
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