CAS RN: 206762-48-3
2,5-Bis(heptyloxy)terephthalaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251103 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250719 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batchno.20251103 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250530 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250113 | 5g | In stock | Shanghai | Inquiry |
- Product code: LINB887515
206762-48-3 / 2,5-diheptoxyterephthalaldehyde
Basic Information
CAS
206762-48-3
Multi CAS
No
Molecular Formula
C22H34O4
Molecular Weight
362.500000
Exact Mass
362.245710
SMILES
CCCCCCCOC1=CC(=C(C=C1C=O)OCCCCCCC)C=O
InChI
InChI=1S/C22H34O4/c1-3-5-7-9-11-13-25-21-15-20(18-24)22(16-19(21)17-23)26-14-12-10-8-6-4-2/h15-18H,3-14H2,1-2H3
InChIKey
ASYHPQABVPFLJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
105.73
TPSA
52.6
LogP / Solubility
WLOGP
6.01
MLOGP
5.31
XLogP3
6.5
Consensus LogP
5.94
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.92
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)
-0.66
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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