CAS RN: 1003709-57-6
3-FLUORO-4-IODOBENZALDEHYDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250708 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20251018 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260221 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260523 | 25g | Out of stock | Inquiry | |
| Batchno.20250803 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-000898
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1003709-57-6 / 3-fluoro-4-iodobenzaldehyde
3-FLUORO-4-IODOBENZALDEHYDE | DTXSID90662818 | RefChem:279419
Basic Information
CAS
1003709-57-6
Multi CAS
No
Molecular Formula
C7H4FIO
Molecular Weight
250.010000
Exact Mass
249.929090
SMILES
C1=CC(=C(C=C1C=O)F)I
InChI
InChI=1S/C7H4FIO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKey
CGQJITDLUBMLFF-UHFFFAOYSA-N
Synonyms
3-FLUORO-4-IODOBENZALDEHYDE
DTXSID90662818
RefChem:279419
DTXCID90613567
MFCD07782055
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.5
TPSA
17.07
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
2.1
Consensus LogP
2.11
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-2.65
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
