[email protected]
CAS 188690-66-6 2,6-Dibromo-4,4-dihexyl-4H-silolo[3,2-b:4,5-b’]dithiophene molecular structure lightbox
CAS RN: 188690-66-6

2,6-Dibromo-4,4-dihexyl-4H-silolo[3,2-b:4,5-b’]dithiophene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250227 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS188690-66-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

188690-66-6 / 4,10-dibromo-7,7-dihexyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

Standard CAS: 188690-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188690-66-6
Multi CAS
No
Molecular Formula
C20H28Br2S2Si
Molecular Weight
520.500000
Exact Mass
519.974800
SMILES
CCCCCC[Si]1(C2=C(C3=C1C=C(S3)Br)SC(=C2)Br)CCCCCC
InChI
InChI=1S/C20H28Br2S2Si/c1-3-5-7-9-11-25(12-10-8-6-4-2)15-13-17(21)23-19(15)20-16(25)14-18(22)24-20/h13-14H,3-12H2,1-2H3
InChIKey
MKZGJTOPZVZNOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
125.95
TPSA
56.5000

LogP / Solubility

WLOGP
8.04
MLOGP
7.11
XLogP3
8.04
Consensus LogP
7.73
Log S (ESOL)
-7.77
Class (ESOL)
Insoluble
Log S (Ali)
-9.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.92
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)
-0.19

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
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