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CAS 1207627-85-7 4,4-di-2-ethylhexyl-dithieno[3,2-b:2′,3′-d]silole molecular structure lightbox
CAS RN: 1207627-85-7

4,4-di-2-ethylhexyl-dithieno[3,2-b:2′,3′-d]silole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260220 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1207627-85-7
  • Purity/Analytical Methods: >99.0%
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1207627-85-7 / 7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4,4-di-2-ethylhexyl-dithieno[3,2-b:2',3'-d]silole | 4,4-di-2-ethylhexyl-dithieno[3,2-b | 4,4-Bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene

Standard CAS: 1207627-85-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1207627-85-7
Multi CAS
Yes
Molecular Formula
C24H38S2Si
Molecular Weight
418.800000
Exact Mass
418.218420
SMILES
CCCCC(CC)C[Si]1(C2=C(C3=C1C=CS3)SC=C2)CC(CC)CCCC
InChI
InChI=1S/C24H38S2Si/c1-5-9-11-19(7-3)17-27(18-20(8-4)12-10-6-2)21-13-15-25-23(21)24-22(27)14-16-26-24/h13-16,19-20H,5-12,17-18H2,1-4H3
InChIKey
MQIPWGKXFQQTLD-UHFFFAOYSA-N
Synonyms
4,4-di-2-ethylhexyl-dithieno[3,2-b:2',3'-d]silole 4,4-di-2-ethylhexyl-dithieno[3,2-b 4,4-Bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene 7,7-bis(2-ethylhexyl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene MQIPWGKXFQQTLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
128.88
TPSA
56.5000

LogP / Solubility

WLOGP
7.79
MLOGP
6.88
XLogP3
7.79
Consensus LogP
7.49
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-8.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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