CAS RN: 13246-46-3
2,4-bis(phenylmethoxy)-Benzaldehyde
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: SSC-039344
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, 5g, 0.1g, 0.25g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 7
- 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 | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 3 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 2 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Beijing | Inquiry |
13246-46-3 / 2,4-bis(phenylmethoxy)benzaldehyde
Basic Information
CAS
13246-46-3
Multi CAS
No
Molecular Formula
C21H18O3
Molecular Weight
318.400000
Exact Mass
318.125594
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2)C=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)13-21(19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey
DMYYTMVFUMDOGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
93.38
TPSA
35.53
LogP / Solubility
WLOGP
4.66
MLOGP
4.11
XLogP3
4.3
Consensus LogP
4.36
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
