CAS RN: 1403984-36-0
4,8-Bis-(5-hexyl-thiophen-2-yl)-2,6-bis-trimethylstannanyl-1,5-dithia-s-indacene
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.20250813 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1403984-36-0
- Purity/Analytical Methods: >99.0%
1403984-36-0 / [4,8-bis(5-hexylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
Basic Information
CAS
1403984-36-0
Multi CAS
No
Molecular Formula
C36H50S4Sn2
Molecular Weight
848.500000
Exact Mass
848.083350
SMILES
CCCCCCC1=CC=C(S1)C2=C3C=C(SC3=C(C4=C2SC(=C4)[Sn](C)(C)C)C5=CC=C(S5)CCCCCC)[Sn](C)(C)C
InChI
InChI=1S/C30H32S4.6CH3.2Sn/c1-3-5-7-9-11-21-13-15-25(33-21)27-23-17-19-32-30(23)28(24-18-20-31-29(24)27)26-16-14-22(34-26)12-10-8-6-4-2;;;;;;;;/h13-18H,3-12H2,1-2H3;6*1H3;;
InChIKey
TZVXHUVIWSCYLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
22
Fraction Csp3
0.5
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
205.49
TPSA
113.0000
LogP / Solubility
WLOGP
12.91
MLOGP
11.44
XLogP3
12.91
Consensus LogP
12.42
Log S (ESOL)
-12.7
Class (ESOL)
Insoluble
Log S (Ali)
-15.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.27
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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