CAS RN: 1013634-99-5
7-hydroxy-3-iodo-4H-chromen-4-one
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.20250725 | 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1013634-99-5
- Purity/Analytical Methods: >99.0%
1013634-99-5 / 7-hydroxy-3-iodochromen-4-one
7-HYDROXY-3-IODO-4H-CHROMEN-4-ONE | 7-hydroxy-3-iodochromen-4-one | MFCD20527708
Basic Information
CAS
1013634-99-5
Multi CAS
Yes
Molecular Formula
C9H5IO3
Molecular Weight
288.040000
Exact Mass
287.928340
SMILES
C1=CC2=C(C=C1O)OC=C(C2=O)I
InChI
InChI=1S/C9H5IO3/c10-7-4-13-8-3-5(11)1-2-6(8)9(7)12/h1-4,11H
InChIKey
VLNVZSXVAGSIHK-UHFFFAOYSA-N
Synonyms
7-HYDROXY-3-IODO-4H-CHROMEN-4-ONE
7-hydroxy-3-iodochromen-4-one
MFCD20527708
C9H5IO3
SCHEMBL2108389
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.87
TPSA
50.44
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-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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