![CAS 1334669-56-5 (3,3”’-Dihexyl-[2,2′:5′,2”:5”,2”’-quaterthiophene]-5,5”’-diyl)bis(trimethylstannane) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB93116613.gif)
CAS RN: 1334669-56-5
(3,3”’-Dihexyl-[2,2′:5′,2”:5”,2”’-quaterthiophene]-5,5”’-diyl)bis(trimethylstannane)
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.20250505 | 100mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1334669-56-5
- Purity/Analytical Methods: >99.0%
1334669-56-5 / [4-hexyl-5-[5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane
Basic Information
CAS
1334669-56-5
Multi CAS
No
Molecular Formula
C34H50S4Sn2
Molecular Weight
824.400000
Exact Mass
824.083350
SMILES
CCCCCCC1=C(SC(=C1)[Sn](C)(C)C)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=C(S4)[Sn](C)(C)C)CCCCCC
InChI
InChI=1S/C28H32S4.6CH3.2Sn/c1-3-5-7-9-11-21-17-19-29-27(21)25-15-13-23(31-25)24-14-16-26(32-24)28-22(18-20-30-28)12-10-8-6-4-2;;;;;;;;/h13-18H,3-12H2,1-2H3;6*1H3;;
InChIKey
IPJYLDUMTVZMGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
20
Fraction Csp3
0.53
Rotatable bonds
15
H-bond acceptors
4
Molar refractivity
195.91
TPSA
113.0000
LogP / Solubility
WLOGP
12.27
MLOGP
10.87
XLogP3
12.27
Consensus LogP
11.8
Log S (ESOL)
-12.06
Class (ESOL)
Insoluble
Log S (Ali)
-15.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17
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)
0.96
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
4.5
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