![CAS 1402460-13-2 (4,8-Bis(5-(2-butyloctyl)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl)bis(trimethylstannane) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402460-13-2(2).gif)
CAS RN: 1402460-13-2
(4,8-Bis(5-(2-butyloctyl)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl)bis(trimethylstannane)
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.20250819 | 200mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1402460-13-2
- Purity/Analytical Methods: >99.0%
1402460-13-2 / [4,8-bis[4-(2-butyloctyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
Basic Information
CAS
1402460-13-2
Multi CAS
No
Molecular Formula
C48H74S4Sn2
Molecular Weight
1016.800000
Exact Mass
1016.271150
SMILES
CCCCCCC(CCCC)CC1=CSC(=C1)C2=C3C=C(SC3=C(C4=C2SC(=C4)[Sn](C)(C)C)C5=CC(=CS5)CC(CCCC)CCCCCC)[Sn](C)(C)C
InChI
InChI=1S/C42H56S4.6CH3.2Sn/c1-5-9-13-15-19-31(17-11-7-3)25-33-27-37(45-29-33)39-35-21-23-44-42(35)40(36-22-24-43-41(36)39)38-28-34(30-46-38)26-32(18-12-8-4)20-16-14-10-6-2;;;;;;;;/h21-22,27-32H,5-20,25-26H2,1-4H3;6*1H3;;
InChIKey
RSGIGHUGQHPCFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
22
Fraction Csp3
0.62
Rotatable bonds
24
H-bond acceptors
4
Molar refractivity
260.75
TPSA
113.0000
LogP / Solubility
WLOGP
17.3
MLOGP
15.32
XLogP3
17.3
Consensus LogP
16.64
Log S (ESOL)
-15.76
Class (ESOL)
Insoluble
Log S (Ali)
-20.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-23.51
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)
3.36
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
6
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