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, 10g, 25g, 5g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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 | Shenzhen | Inquiry |
| 10g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
4265-16-1 / 1-benzofuran-2-carbaldehyde
Basic Information
CAS
4265-16-1
Multi CAS
Yes
Molecular Formula
C9H6O2
Molecular Weight
146.140000
Exact Mass
146.036779
InChI
InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
InChIKey
ADDZHRRCUWNSCS-UHFFFAOYSA-N
Physical Properties
Melting Point
195.00 to 198.00 °C. @ 760.00 mm Hg
Boiling Point
130.00 to 131.00 °C. @ 13.00 mm Hg
Physical Description
Crystalline solid, bitter almond odour
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.6
TPSA
30.21
LogP / Solubility
WLOGP
2.25
MLOGP
1.97
XLogP3
2.3
Consensus LogP
2.17
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
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
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