CAS RN: 1199783-16-8
4-Iodo-3-Benzofuranone
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_CAS1199783-16-8
- Purity/Analytical Methods: >99.0%
1199783-16-8 / 4-iodo-1-benzofuran-3-one
4-Iodobenzofuran-3(2H)-one | 4-iodo-3-benzofuranone | 4-iodo-1-benzofuran-3-one
Basic Information
CAS
1199783-16-8
Multi CAS
Yes
Molecular Formula
C8H5IO2
Molecular Weight
260.030000
Exact Mass
259.933430
SMILES
C1C(=O)C2=C(O1)C=CC=C2I
InChI
InChI=1S/C8H5IO2/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-3H,4H2
InChIKey
ZPUOARWKTQCIHP-UHFFFAOYSA-N
Synonyms
4-Iodobenzofuran-3(2H)-one
4-iodo-3-benzofuranone
4-iodo-1-benzofuran-3-one
3(2H)-Benzofuranone, 4-iodo-
MFCD09744092
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
48.98
TPSA
26.3
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
2.1
Consensus LogP
1.87
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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