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CAS 1026-92-2 Diallyl Terephthalate molecular structure lightbox
CAS RN: 1026-92-2

Diallyl Terephthalate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250910 1kg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260301 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251201 500g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-003871
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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: 500g
  • Available purity: ＞97%
  • 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 1026-92-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Shenzhen Inquiry

1026-92-2 / bis(prop-2-enyl) benzene-1,4-dicarboxylate

Diallyl terephthalate | Diallyl terethiolate | 1,4-Benzenedicarboxylic acid, 1,4-di-2-propen-1-yl ester

Standard CAS: 1026-92-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1026-92-2
Multi CAS
No
Molecular Formula
C14H14O4
Molecular Weight
246.260000
Exact Mass
246.089209
SMILES
C=CCOC(=O)C1=CC=C(C=C1)C(=O)OCC=C
InChI
InChI=1S/C14H14O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
InChIKey
ZDNFTNPFYCKVTB-UHFFFAOYSA-N
Synonyms
Diallyl terephthalate Diallyl terethiolate 1,4-Benzenedicarboxylic acid, 1,4-di-2-propen-1-yl ester NSC 5463 EINECS 213-835-2

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
67.4
TPSA
52.6

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.9
Consensus LogP
2.45
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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