CAS RN: 890840-90-1
7,8-difluorochroman-4-one
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
- Product code: SSC-200950
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: 0.25g, 1g, 0.1g, 10g, 5g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 0.1g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 2 In Stock | Shanghai | Inquiry |
890840-90-1 / 7,8-difluoro-2,3-dihydrochromen-4-one
Basic Information
CAS
890840-90-1
Multi CAS
No
Molecular Formula
C9F2H6O2
Molecular Weight
184.140000
Exact Mass
184.033586
InChI
InChI=1S/C9H6F2O2/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2H,3-4H2
InChIKey
QVMSLYKXQLIIRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
40.8
TPSA
26.3
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.6
Consensus LogP
1.74
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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