CAS RN: 58349-77-2
9-(2-nitrovinyl)anthracene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250117 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS58349-77-2
- Purity/Analytical Methods: >99.0%
58349-77-2 / 9-(2-nitroethenyl)anthracene
Basic Information
CAS
58349-77-2
Multi CAS
Yes
Molecular Formula
C16H11NO2
Molecular Weight
249.260000
Exact Mass
249.078979
InChI
InChI=1S/C16H11NO2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H/b10-9+
InChIKey
GYOMWYPUMGJROJ-MDZDMXLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
77.48
TPSA
43.14
LogP / Solubility
WLOGP
4.24
MLOGP
3.74
XLogP3
5
Consensus LogP
4.33
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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)
-1.23
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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