CAS RN: 331-64-6
2-Fluoro-p-anisaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251020 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Guangdong, Shanghai | Inquiry |
- Product code: SSC-138995
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 25g, 5g, 10g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
331-64-6 / 2-fluoro-4-methoxybenzaldehyde
Basic Information
CAS
331-64-6
Multi CAS
No
Molecular Formula
C8H7FO2
Molecular Weight
154.140000
Exact Mass
154.043008
SMILES
COC1=CC(=C(C=C1)C=O)F
InChI
InChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKey
UNWQNFJBBWXFBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.34
TPSA
26.3
LogP / Solubility
WLOGP
1.65
MLOGP
1.44
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (30%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (10%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (90%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
