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CAS 1528-54-7 1,2,4-Benzenetricarboxylic acid, tripropyl ester molecular structure lightbox
CAS RN: 1528-54-7

1,2,4-Benzenetricarboxylic acid, tripropyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 1g In stock Shanghai Inquiry
  • Product code: SSC-062483
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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: 25g
  • Available purity: 95%+
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1528-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g 95%+ 0 Out of Stock Hong Kong Inquiry

1528-54-7 / tripropyl benzene-1,2,4-tricarboxylate

Standard CAS: 1528-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1528-54-7
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

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