![CAS 935280-42-5 Dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/935280-42-5.gif)
CAS RN: 935280-42-5
Dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS935280-42-5
- Purity/Analytical Methods: >99.0%
935280-42-5 / 12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
Basic Information
CAS
935280-42-5
Multi CAS
No
Molecular Formula
C22H12S2
Molecular Weight
340.500000
Exact Mass
340.038043
InChI
InChI=1S/C22H12S2/c1-3-7-15-11-19-17(9-13(15)5-1)21-22(23-19)18-10-14-6-2-4-8-16(14)12-20(18)24-21/h1-12H
InChIKey
CZWHMRTTWFJMBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
24
H-bond acceptors
2
Molar refractivity
109.73
TPSA
56.5000
LogP / Solubility
WLOGP
7.58
MLOGP
6.68
XLogP3
7.3
Consensus LogP
7.19
Log S (ESOL)
-7.46
Class (ESOL)
Insoluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
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
No
Log Kp (skin permeation)
0.58
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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