CAS RN: 111141-02-7
7-(Trifluoromethyl)chroman-4-one
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250206 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250422 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260619 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250709 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20250710 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-012008
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: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 2 In Stock | Shanghai | Inquiry |
111141-02-7 / 7-(trifluoromethyl)-2,3-dihydrochromen-4-one
7-(trifluoromethyl)chroman-4-one | 7-(trifluoromethyl)-2,3-dihydrochromen-4-one | MFCD09998165
Basic Information
CAS
111141-02-7
Multi CAS
No
Molecular Formula
C10H7F3O2
Molecular Weight
216.160000
Exact Mass
216.039814
SMILES
C1COC2=C(C1=O)C=CC(=C2)C(F)(F)F
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5H,3-4H2
InChIKey
BDGGJAUEQDZWRC-UHFFFAOYSA-N
Synonyms
7-(trifluoromethyl)chroman-4-one
7-(trifluoromethyl)-2,3-dihydrochromen-4-one
MFCD09998165
4H-1-Benzopyran-4-one, 2,3-dihydro-7-(trifluoromethyl)-
2,3-Dihydro-7-(trifluoromethyl)-4H-chromen-4-one
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
Molar refractivity
45.89
TPSA
26.3
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
2.3
Consensus LogP
2.44
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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