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CAS 124796-78-7 Thieno[2′,3′:4,5]thieno[3,2-b]thieno[2,3-d]thiophene molecular structure lightbox
CAS RN: 124796-78-7

Thieno[2′,3′:4,5]thieno[3,2-b]thieno[2,3-d]thiophene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS124796-78-7
  • Purity/Analytical Methods: >99.0%
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124796-78-7 / 3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene

Standard CAS: 124796-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124796-78-7
Multi CAS
No
Molecular Formula
C10H4S4
Molecular Weight
252.400000
Exact Mass
251.919585
SMILES
C1=CSC2=C1SC3=C2SC4=C3SC=C4
InChI
InChI=1S/C10H4S4/c1-3-11-7-5(1)13-10-8-6(2-4-12-8)14-9(7)10/h1-4H
InChIKey
HVBNNPNJIAMKAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
14
H-bond acceptors
4
Molar refractivity
70.47
TPSA
113.0000

LogP / Solubility

WLOGP
5.39
MLOGP
4.75
XLogP3
4.9
Consensus LogP
5.01
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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