CAS RN: 1198467-57-0
2,6-bis(dodecyloxy)benzaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250401 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-020640
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1198467-57-0 / 2,6-didodecoxybenzaldehyde
2,6-Bis(dodecyloxy)benzaldehyde | Benzaldehyde, 2,6-bis(dodecyloxy)- | 2,6-didodecoxybenzaldehyde
Basic Information
CAS
1198467-57-0
Multi CAS
No
Molecular Formula
C31H54O3
Molecular Weight
474.800000
Exact Mass
474.407296
SMILES
CCCCCCCCCCCCOC1=C(C(=CC=C1)OCCCCCCCCCCCC)C=O
InChI
InChI=1S/C31H54O3/c1-3-5-7-9-11-13-15-17-19-21-26-33-30-24-23-25-31(29(30)28-32)34-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28H,3-22,26-27H2,1-2H3
InChIKey
QPAKGKFSBBAHMS-UHFFFAOYSA-N
Synonyms
2,6-Bis(dodecyloxy)benzaldehyde
Benzaldehyde, 2,6-bis(dodecyloxy)-
2,6-didodecoxybenzaldehyde
MFCD25372091
SCHEMBL30471152
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.77
Rotatable bonds
25
H-bond acceptors
3
Molar refractivity
146.51
TPSA
35.53
LogP / Solubility
WLOGP
10.1
MLOGP
8.92
XLogP3
12.5
Consensus LogP
10.51
Log S (ESOL)
-7.63
Class (ESOL)
Insoluble
Log S (Ali)
-10.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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