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: ≥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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
655-07-2 / 2,4-dinitro-1-(trifluoromethoxy)benzene
Basic Information
CAS
655-07-2
Multi CAS
Yes
Molecular Formula
C7F3H3N2O5
Molecular Weight
252.100000
Exact Mass
251.999406
InChI
InChI=1S/C7H3F3N2O5/c8-7(9,10)17-6-2-1-4(11(13)14)3-5(6)12(15)16/h1-3H
InChIKey
KYUUZCUXYXNPFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
46.43
TPSA
95.51
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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2,5-difluoroterephthalic acid
- CAS RN: 655-14-1
- Product Code: starshine_CAS655-14-1
- Purity/Analytical method: >99.0%
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