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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
345-32-4 / 5-(trifluoromethyl)-1H-indole-2,3-dione
Basic Information
CAS
345-32-4
Multi CAS
No
Molecular Formula
C9F3H4NO2
Molecular Weight
215.130000
Exact Mass
215.019413
InChI
InChI=1S/C9H4F3NO2/c10-9(11,12)4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
InChIKey
WODYULWWVAMDCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.4
TPSA
46.17
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.7
Consensus LogP
1.72
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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4-Fluoro-4′-methoxybenzophenone
- CAS RN: 345-89-1
- Product Code: starshine_CAS345-89-1
- Purity/Analytical method: >99.0%
