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: 10g, 1g, 5g, 25g, 100g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 10g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
7797-83-3 / 1,3-benzodioxole-4-carbaldehyde
Basic Information
CAS
7797-83-3
Multi CAS
Yes
Molecular Formula
C8H6O3
Molecular Weight
150.130000
Exact Mass
150.031694
InChI
InChI=1S/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2
InChIKey
QZMQKPGVXNSITP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.95
TPSA
35.53
LogP / Solubility
WLOGP
1.23
MLOGP
1.07
XLogP3
1.2
Consensus LogP
1.17
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-2.76
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
