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CAS 523-31-9 DIBENZYL PHTHALATE molecular structure lightbox
CAS RN: 523-31-9

DIBENZYL PHTHALATE

  • Product code: SSC-159392
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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: 1g
  • 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 523-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

523-31-9 / dibenzyl benzene-1,3-dicarboxylate

Standard CAS: 523-31-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
523-31-9
Multi CAS
Yes
Molecular Formula
C22H18O4
Molecular Weight
346.400000
Exact Mass
346.120509
InChI
InChI=1S/C22H18O4/c23-21(25-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)22(24)26-16-18-10-5-2-6-11-18/h1-14H,15-16H2
InChIKey
OIVQLSUKOZNNCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
97.57
TPSA
52.6

LogP / Solubility

WLOGP
4.4
MLOGP
3.89
XLogP3
5.3
Consensus LogP
4.53
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble

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)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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