[email protected]
CAS 1398122-00-3 (E)-1,2-bis(4-(trimethylstannyl)phenyl)ethene molecular structure lightbox
CAS RN: 1398122-00-3

(E)-1,2-bis(4-(trimethylstannyl)phenyl)ethene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250908 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1398122-00-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1398122-00-3 / trimethyl-[4-[(E)-2-(4-trimethylstannylphenyl)ethenyl]phenyl]stannane

Standard CAS: 1398122-00-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1398122-00-3
Multi CAS
No
Molecular Formula
C20H28Sn2
Molecular Weight
505.900000
Exact Mass
506.022910
SMILES
C[Sn](C)(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[Sn](C)(C)C
InChI
InChI=1S/C14H10.6CH3.2Sn/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;;;;;;;/h3-12H;6*1H3;;/b12-11+;;;;;;;;
InChIKey
ATIBJRHBUGJNJJ-YPWMFNLASA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
4
Molar refractivity
107.77
TPSA
0.0000

LogP / Solubility

WLOGP
4.95
MLOGP
4.39
XLogP3
4.95
Consensus LogP
4.76
Log S (ESOL)
-6.23
Class (ESOL)
Insoluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us