CAS RN: 18761-32-5
Benzofuran, 7-nitro-
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.20260514 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS18761-32-5
- Purity/Analytical Methods: >99.0%
18761-32-5 / 7-nitro-1-benzofuran
Basic Information
CAS
18761-32-5
Multi CAS
No
Molecular Formula
C8H5NO3
Molecular Weight
163.130000
Exact Mass
163.026943
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])OC=C2
InChI
InChI=1S/C8H5NO3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
InChIKey
UWXIRVOEHNPCEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.87
TPSA
56.28
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2.2
Consensus LogP
2.2
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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