CAS RN: 1246308-80-4
4-(2-nitrophenyl)Dibenzofuran
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.20250919 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1246308-80-4
- Purity/Analytical Methods: >99.0%
1246308-80-4 / 4-(2-nitrophenyl)dibenzofuran
Basic Information
CAS
1246308-80-4
Multi CAS
No
Molecular Formula
C18H11NO3
Molecular Weight
289.300000
Exact Mass
289.073893
SMILES
C1=CC=C(C(=C1)C2=CC=CC3=C2OC4=CC=CC=C34)[N+](=O)[O-]
InChI
InChI=1S/C18H11NO3/c20-19(21)16-10-3-1-6-12(16)14-8-5-9-15-13-7-2-4-11-17(13)22-18(14)15/h1-11H
InChIKey
ZPVONLLRBPTGCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
85.81
TPSA
56.28
LogP / Solubility
WLOGP
5.16
MLOGP
4.55
XLogP3
5.1
Consensus LogP
4.94
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble
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)
-0.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
2-(2-Nitrophenyl)dibenzofuran
- CAS RN: 1246308-82-6
- Product Code: starshine_CAS1246308-82-6
- Purity/Analytical method: >99.0%
-
-
-
Praziquantel-d11
- CAS RN: 1246343-36-1
- Product Code: starshine_CAS1246343-36-1
- Purity/Analytical method: >99.0%
-
-
![CAS 1246308-83-7 7H-benzofuro[2,3-b]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246308-83-7.gif)
![CAS 1246308-85-9 7H-12-Oxa-7-aza-indeno[1,2-a]fluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246308-85-9.gif)
