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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
207853-70-1 / [2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanone
Basic Information
CAS
207853-70-1
Multi CAS
No
Molecular Formula
C14H8F4O
Molecular Weight
268.210000
Exact Mass
268.051128
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)C(F)(F)F)F
InChI
InChI=1S/C14H8F4O/c15-12-10(7-4-8-11(12)14(16,17)18)13(19)9-5-2-1-3-6-9/h1-8H
InChIKey
QNEOCRQLKSEYEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.28
TPSA
17.07
LogP / Solubility
WLOGP
4.08
MLOGP
3.59
XLogP3
4.2
Consensus LogP
3.96
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
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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1 3-DI-Z-2-(TRIFLUOROMETHYLSULFONYL)-
- CAS RN: 207857-19-0
- Product Code: starshine_CAS207857-19-0
- Purity/Analytical method: >99.0%
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