![CAS 477789-30-3 trans-1,2-Bis[5-(trimethylstannyl)thiophen-2-yl]ethene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5377-jpgcontextbwfzdgvyfhjvb3r8mza0nzz8aw1hz2uvanblz3xoztivadvmlzg5mjkxotg2njk4ntqvqjuznzcuanbnfgzmnmy1ntvmotuyzdnjnmrmywqzztc4yze2zjazzje3ngu0yteymwqymtk2mdrinze3mjjmzmuxywqxmzy0mmm.jpeg)
CAS RN: 477789-30-3
trans-1,2-Bis[5-(trimethylstannyl)thiophen-2-yl]ethene
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: ICTB5377
- Purity/Analytical Methods: >98.0%(HPLC)
477789-30-3 / trimethyl-[5-[(E)-2-(5-trimethylstannylthiophen-2-yl)ethenyl]thiophen-2-yl]stannane
Basic Information
CAS
477789-30-3
Multi CAS
Yes
Molecular Formula
C16H24N2S3
Molecular Weight
517.900000
Exact Mass
517.935750
InChI
InChI=1S/C10H6S2.6CH3.2Sn/c1-3-9(11-7-1)5-6-10-4-2-8-12-10;;;;;;;;/h1-6H;6*1H3;;/b6-5+;;;;;;;;
InChIKey
NDHZYIWVQSXGQE-BPLSXZKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
103.53
TPSA
56.5000
LogP / Solubility
WLOGP
5.07
MLOGP
4.5
XLogP3
5.07
Consensus LogP
4.88
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1044795-04-1 4,8-Bis(dodecyloxy)benzo[1,2-b:4,5-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5454-jpgcontextbwfzdgvyfhjvb3r8ndcwmjv8aw1hz2uvanblz3xoyjgvagvllzg5mjkymdixndmynjivqju0ntquanbnfdjjnwzhnjdjyzm2mdqzzwjjntrlodhmmda5ngiyyzzjndvimmy5nwy4yti4ntm2zme4njaxztjkzdiymjg5mdu.jpeg)
