![CAS 42490-26-6 9,10-Dihydro-9,10-[3,4]thiophenoanthracene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4412-jpgcontextbwfzdgvyfhjvb3r8mzuyodn8aw1hz2uvanblz3xonmyvada3lzg5mzayodg3mzaxndivrdq0mtiuanbnfdc5ngq3ytuzogy0zjhmnmqynwvlogfiotdinda1zjnkmdg0nmi4mzi0odizmzeymdvlndq3mmq2nmfhnjjiodk.jpeg)
CAS RN: 42490-26-6
9,10-Dihydro-9,10-[3,4]thiophenoanthracene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251110 | 50mg | In stock | Shanghai | Inquiry |
- Product code: ICTD4412
- Purity/Analytical Methods: >98.0%(GC)
42490-26-6 / 17-thiapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13,15,18-octaene
Basic Information
CAS
42490-26-6
Multi CAS
No
Molecular Formula
C18H12S
Molecular Weight
260.400000
Exact Mass
260.065972
InChI
InChI=1S/C18H12S/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-19-9-15(16)17/h1-10,17-18H
InChIKey
GFAFZYPBTKDJBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
17
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
79.09
TPSA
28.2000
LogP / Solubility
WLOGP
4.74
MLOGP
4.17
XLogP3
4.5
Consensus LogP
4.47
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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)
-0.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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