CAS RN: 64209-68-3
2-BENZOFURANCARBOXYLIC ACID, 6-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.20250317 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS64209-68-3
- Purity/Analytical Methods: >99.0%
64209-68-3 / 6-nitro-1-benzofuran-2-carboxylic acid
Basic Information
CAS
64209-68-3
Multi CAS
No
Molecular Formula
C9H5NO5
Molecular Weight
207.140000
Exact Mass
207.016772
InChI
InChI=1S/C9H5NO5/c11-9(12)8-3-5-1-2-6(10(13)14)4-7(5)15-8/h1-4H,(H,11,12)
InChIKey
KROYLRGNLSKXHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.83
TPSA
93.58
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
2.2
Consensus LogP
2.01
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-2.54
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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