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CAS 88493-55-4 α-Sexithiophene (purified by sublimation) molecular structure lightbox
CAS RN: 88493-55-4

α-Sexithiophene (purified by sublimation)

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250605 100mg Out of stock Inquiry
Batchno.20251015 250mg Out of stock Inquiry
  • Product code: ICTS0504
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88493-55-4 / 2-thiophen-2-yl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

Standard CAS: 88493-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88493-55-4
Multi CAS
No
Molecular Formula
C24H14S6
Molecular Weight
494.800000
Exact Mass
493.941977
InChI
InChI=1S/C24H14S6/c1-3-15(25-13-1)17-5-7-19(27-17)21-9-11-23(29-21)24-12-10-22(30-24)20-8-6-18(28-20)16-4-2-14-26-16/h1-14H
InChIKey
KUJYDIFFRDAYDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
30
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
140.88
TPSA
169.0000

LogP / Solubility

WLOGP
10.39
MLOGP
9.18
XLogP3
8.5
Consensus LogP
9.36
Log S (ESOL)
-9.86
Class (ESOL)
Insoluble
Log S (Ali)
-11.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.1
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)
1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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