CAS RN: 1528-53-6
Tripropyl Trimellitate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250804 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTT1446
- Purity/Analytical Methods: >97.0%(GC)
1528-53-6 / tripropyl benzene-1,2,4-tricarboxylate
Basic Information
CAS
1528-53-6
Multi CAS
No
Molecular Formula
C18H24O6
Molecular Weight
336.400000
Exact Mass
336.157288
SMILES
CCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCC)C(=O)OCCC
InChI
InChI=1S/C18H24O6/c1-4-9-22-16(19)13-7-8-14(17(20)23-10-5-2)15(12-13)18(21)24-11-6-3/h7-8,12H,4-6,9-11H2,1-3H3
InChIKey
QEUYMNVHNSOBRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
88.16
TPSA
78.9
LogP / Solubility
WLOGP
3.39
MLOGP
3
XLogP3
4.2
Consensus LogP
3.53
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
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
