CAS RN: 3163-76-6
Benzene-1,3,5-tricarbaldehyde
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-137056
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 0.25g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
3163-76-6 / benzene-1,3,5-tricarbaldehyde
Basic Information
CAS
3163-76-6
Multi CAS
Yes
Molecular Formula
C9H6O3
Molecular Weight
162.140000
Exact Mass
162.031694
InChI
InChI=1S/C9H6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-6H
InChIKey
AEKQNAANFVOBCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
42.6
TPSA
51.21
LogP / Solubility
WLOGP
1.12
MLOGP
0.98
XLogP3
0.3
Consensus LogP
0.8
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.91
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
