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CAS 1539-04-4 DIPHENYL TEREPHTHALATE molecular structure lightbox
CAS RN: 1539-04-4

DIPHENYL TEREPHTHALATE

  • Product code: SSC-063287
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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: 5g, 10g, 25g
  • 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 1539-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

1539-04-4 / diphenyl benzene-1,4-dicarboxylate

Standard CAS: 1539-04-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1539-04-4
Multi CAS
No
Molecular Formula
C20H14O4
Molecular Weight
318.300000
Exact Mass
318.089209
SMILES
C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3
InChI
InChI=1S/C20H14O4/c21-19(23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)24-18-9-5-2-6-10-18/h1-14H
InChIKey
HPGJOUYGWKFYQW-UHFFFAOYSA-N

Physical Properties

Physical Description
White odorless powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
89.24
TPSA
52.6

LogP / Solubility

WLOGP
4.13
MLOGP
3.64
XLogP3
5
Consensus LogP
4.26
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

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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