![CAS 1372553-45-1 IN1588, 2,6-Bis(trimethylstannyl)thieno[2′,3′:4,5]thieno[3,2-b]thieno[2,3-d]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1372553-45-1.gif)
CAS RN: 1372553-45-1
IN1588, 2,6-Bis(trimethylstannyl)thieno[2′,3′:4,5]thieno[3,2-b]thieno[2,3-d]thiophene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250413 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1372553-45-1
- Purity/Analytical Methods: >99.0%
1372553-45-1 / trimethyl-(11-trimethylstannyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)stannane
Basic Information
CAS
1372553-45-1
Multi CAS
No
Molecular Formula
C16H20S4Sn2
Molecular Weight
578.000000
Exact Mass
577.848590
SMILES
C[Sn](C)(C)C1=CC2=C(S1)C3=C(S2)C4=C(S3)C=C(S4)[Sn](C)(C)C
InChI
InChI=1S/C10H2S4.6CH3.2Sn/c1-3-11-7-5(1)13-10-8-6(2-4-12-8)14-9(7)10;;;;;;;;/h1-2H;6*1H3;;
InChIKey
AALBFWIQZHNHOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
116.43
TPSA
113.0000
LogP / Solubility
WLOGP
6.48
MLOGP
5.75
XLogP3
6.48
Consensus LogP
6.24
Log S (ESOL)
-7.85
Class (ESOL)
Insoluble
Log S (Ali)
-8.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1372719-93-1 (11aR)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-9-phenanthrenyl-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1372719-93-1.gif)