CAS RN: 425613-09-8
SJ000291942
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
- Product code: SSC-150879
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
425613-09-8 / 2-(4-ethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
Basic Information
CAS
425613-09-8
Multi CAS
No
Molecular Formula
C16FH15N2O4
Molecular Weight
318.300000
Exact Mass
318.101585
InChI
InChI=1S/C16H15FN2O4/c1-2-11-3-6-13(7-4-11)23-10-16(20)18-12-5-8-14(17)15(9-12)19(21)22/h3-9H,2,10H2,1H3,(H,18,20)
InChIKey
YSZJLXPXVFGTNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83
TPSA
81.47
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
3.5
Consensus LogP
3.25
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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