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CAS 5660-45-7 α-Quinquethiophene molecular structure lightbox
CAS RN: 5660-45-7

α-Quinquethiophene

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 100mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 100mg Out of stock Inquiry
  • Product code: ICTQ0079
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5660-45-7 / 2,5-bis(5-thiophen-2-ylthiophen-2-yl)thiophene

Standard CAS: 5660-45-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5660-45-7
Multi CAS
Yes
Molecular Formula
C20H12S5
Molecular Weight
412.600000
Exact Mass
411.954256
InChI
InChI=1S/C20H12S5/c1-3-13(21-11-1)15-5-7-17(23-15)19-9-10-20(25-19)18-8-6-16(24-18)14-4-2-12-22-14/h1-12H
InChIKey
YFBLUJZFRBFQMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
25
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
117.57
TPSA
141.0000

LogP / Solubility

WLOGP
8.66
MLOGP
7.65
XLogP3
7.1
Consensus LogP
7.8
Log S (ESOL)
-8.33
Class (ESOL)
Insoluble
Log S (Ali)
-9.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.01
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)
0.91

Drug-likeness / Medicinal Chemistry

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

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