[email protected]
CAS 891182-24-4 2,7-Dibromo-9,9-dioctyl-9H-9-silafluorene molecular structure lightbox
CAS RN: 891182-24-4

2,7-Dibromo-9,9-dioctyl-9H-9-silafluorene

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251124 100mg Out of stock Inquiry
Batchno.20250718 250mg Out of stock Inquiry
  • Product code: starshine_CAS891182-24-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

891182-24-4 / 3,7-dibromo-5,5-dioctylbenzo[b][1]benzosilole

Standard CAS: 891182-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
891182-24-4
Multi CAS
No
Molecular Formula
C28H40BR2SI
Molecular Weight
564.500000
Exact Mass
564.124550
InChI
InChI=1S/C28H40Br2Si/c1-3-5-7-9-11-13-19-31(20-14-12-10-8-6-4-2)27-21-23(29)15-17-25(27)26-18-16-24(30)22-28(26)31/h15-18,21-22H,3-14,19-20H2,1-2H3
InChIKey
FPSGCUROGVMFJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
14
Molar refractivity
148.67
TPSA
0.0000

LogP / Solubility

WLOGP
9.48
MLOGP
8.38
XLogP3
9.48
Consensus LogP
9.11
Log S (ESOL)
-8.67
Class (ESOL)
Insoluble
Log S (Ali)
-11.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.56

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
2.5

Customers Also Viewed

Get In Touch

Contact Us