CAS RN: 1344889-75-3
6-CHLORO-8-(TRIFLUOROMETHYL)CHROMAN-4-ONE
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.20251002 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-042284
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 |
1344889-75-3 / 6-chloro-8-(trifluoromethyl)-2,3-dihydrochromen-4-one
Basic Information
CAS
1344889-75-3
Multi CAS
No
Molecular Formula
C10H6ClF3O2
Molecular Weight
250.600000
Exact Mass
250.000842
SMILES
C1COC2=C(C1=O)C=C(C=C2C(F)(F)F)Cl
InChI
InChI=1S/C10H6ClF3O2/c11-5-3-6-8(15)1-2-16-9(6)7(4-5)10(12,13)14/h3-4H,1-2H2
InChIKey
DAJYQBCKGZGACE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
Molar refractivity
50.9
TPSA
26.3
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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