![CAS 763114-25-6 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/763114-25-6.gif)
CAS RN: 763114-25-6
2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 5g / 10g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-185755
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: 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 4 In Stock | Beijing | Inquiry |
| 5g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 10g | -- | 4 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Beijing | Inquiry |
| 25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 1 In Stock | Shenzhen | Inquiry |
763114-25-6 / 2-fluoro-5-[(E)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
Basic Information
CAS
763114-25-6
Multi CAS
Yes
Molecular Formula
C16FH8NO2
Molecular Weight
265.240000
Exact Mass
265.053907
InChI
InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H/b15-8+
InChIKey
MMPHWTMMVPBHRZ-OVCLIPMQSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
70.84
TPSA
50.09
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3.3
Consensus LogP
3.21
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
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
1.5
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