CAS RN: 883046-50-2
S14161
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250924 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS883046-50-2
- Purity/Analytical Methods: >99.0%
883046-50-2 / 8-ethoxy-2-(4-fluorophenyl)-3-nitro-2H-chromene
Basic Information
CAS
883046-50-2
Multi CAS
No
Molecular Formula
C17FH14NO4
Molecular Weight
315.290000
Exact Mass
315.090686
InChI
InChI=1S/C17H14FNO4/c1-2-22-15-5-3-4-12-10-14(19(20)21)16(23-17(12)15)11-6-8-13(18)9-7-11/h3-10,16H,2H2,1H3
InChIKey
BFZXDHIUPNWOMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
82.35
TPSA
61.6
LogP / Solubility
WLOGP
3.98
MLOGP
3.51
XLogP3
3.9
Consensus LogP
3.8
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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