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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2324-98-3 / 1,2,4,5-tetrafluoro-3-methoxybenzene
Basic Information
CAS
2324-98-3
Multi CAS
No
Molecular Formula
C7H4F4O
Molecular Weight
180.100000
Exact Mass
180.019827
SMILES
COC1=C(C(=CC(=C1F)F)F)F
InChI
InChI=1S/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3
InChIKey
AXCOCGJDERQVDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
32.83
TPSA
9.23
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
2.4
Consensus LogP
2.21
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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1,1,2,2-Tetrafluoroethyl 2,2,3,3-Tetrafluoropropyl Ether
- CAS RN: 16627-68-2
- Product Code: SSC-072581
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