CAS RN: 86607-81-0
4-NITRODIBENZOFURAN
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS86607-81-0
- Purity/Analytical Methods: >99.0%
86607-81-0 / 4-nitrodibenzofuran
Basic Information
CAS
86607-81-0
Multi CAS
No
Molecular Formula
C12H7NO3
Molecular Weight
213.190000
Exact Mass
213.042593
InChI
InChI=1S/C12H7NO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7H
InChIKey
QRAVOJOOXRDMQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
60.37
TPSA
56.28
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
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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