CAS RN: 241-34-9
2,2′:5′,2”-Bisepithio-1,1′:4′,1”-terbenzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250101 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS241-34-9
- Purity/Analytical Methods: >99.0%
241-34-9 / 10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
Basic Information
CAS
241-34-9
Multi CAS
No
Molecular Formula
C18H10S2
Molecular Weight
290.400000
Exact Mass
290.022393
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C3S2)C5=CC=CC=C5S4
InChI
InChI=1S/C18H10S2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10H
InChIKey
ICDSCKCHUNSGRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
20
H-bond acceptors
2
Molar refractivity
92.22
TPSA
56.5000
LogP / Solubility
WLOGP
6.42
MLOGP
5.66
XLogP3
6.7
Consensus LogP
6.26
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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