[email protected]
CAS 654065-52-8 5-Bromo-1,2,3-tris(dodecyloxy)benzene molecular structure lightbox
CAS RN: 654065-52-8

5-Bromo-1,2,3-tris(dodecyloxy)benzene

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 100mg / 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-175071
GET A QUOTE
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: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 654065-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

654065-52-8 / 5-bromo-1,2,3-tridodecoxybenzene

Standard CAS: 654065-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
654065-52-8
Multi CAS
No
Molecular Formula
C42H77BRO3
Molecular Weight
710.000000
Exact Mass
708.505610
InChI
InChI=1S/C42H77BrO3/c1-4-7-10-13-16-19-22-25-28-31-34-44-40-37-39(43)38-41(45-35-32-29-26-23-20-17-14-11-8-5-2)42(40)46-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36H2,1-3H3
InChIKey
ZIDQGPDSONWHEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
6
Fraction Csp3
0.86
Rotatable bonds
36
H-bond acceptors
3
Molar refractivity
206.16
TPSA
27.69

LogP / Solubility

WLOGP
15.35
MLOGP
13.57
XLogP3
19.3
Consensus LogP
16.07
Log S (ESOL)
-11.63
Class (ESOL)
Insoluble
Log S (Ali)
-16.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.85

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

Customers Also Viewed

Get In Touch

Contact Us