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CAS 132900-75-5 1,4-Di[4-(4-acryloyloxybutoxy)benzoyloxy]-2-methylbenzene molecular structure lightbox
CAS RN: 132900-75-5

1,4-Di[4-(4-acryloyloxybutoxy)benzoyloxy]-2-methylbenzene

  • Product code: SSC-039613
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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: 10g
  • 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 132900-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

132900-75-5 / [3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate

Standard CAS: 132900-75-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
132900-75-5
Multi CAS
No
Molecular Formula
C35H36O10
Molecular Weight
616.700000
Exact Mass
616.230847
SMILES
CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCCOC(=O)C=C
InChI
InChI=1S/C35H36O10/c1-4-32(36)42-22-8-6-20-40-28-14-10-26(11-15-28)34(38)44-30-18-19-31(25(3)24-30)45-35(39)27-12-16-29(17-13-27)41-21-7-9-23-43-33(37)5-2/h4-5,10-19,24H,1-2,6-9,20-23H2,3H3
InChIKey
NLGINBDFXRCWQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
18
H-bond acceptors
10
Molar refractivity
165.75
TPSA
123.66

LogP / Solubility

WLOGP
6.21
MLOGP
5.51
XLogP3
7.4
Consensus LogP
6.37
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-9.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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