![CAS 832738-06-4 5-[(4-iodophenoxy)methyl]-2-furaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/832738-06-4.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
832738-06-4 / 5-[(4-iodophenoxy)methyl]furan-2-carbaldehyde
Basic Information
CAS
832738-06-4
Multi CAS
No
Molecular Formula
C12H9IO3
Molecular Weight
328.100000
Exact Mass
327.959640
InChI
InChI=1S/C12H9IO3/c13-9-1-3-10(4-2-9)15-8-12-6-5-11(7-14)16-12/h1-7H,8H2
InChIKey
NEUDFFJBVXPXEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
67.59
TPSA
39.44
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
2.9
Consensus LogP
3.03
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
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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