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CAS 1611002-56-2 5-Fluoro-4,7-bis(5-(trimethylstannyl)thiophen-2-yl)benzo[c][1,2,5]thiadiazole molecular structure lightbox
CAS RN: 1611002-56-2

5-Fluoro-4,7-bis(5-(trimethylstannyl)thiophen-2-yl)benzo[c][1,2,5]thiadiazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250626 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1611002-56-2
  • Purity/Analytical Methods: >99.0%
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1611002-56-2 / [5-[5-fluoro-4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-trimethylstannane

Standard CAS: 1611002-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1611002-56-2
Multi CAS
No
Molecular Formula
C20H23FN2S3Sn2
Molecular Weight
644.000000
Exact Mass
643.904550
SMILES
C[Sn](C)(C)C1=CC=C(S1)C2=CC(=C(C3=NSN=C23)C4=CC=C(S4)[Sn](C)(C)C)F
InChI
InChI=1S/C14H5FN2S3.6CH3.2Sn/c15-9-7-8(10-3-1-5-18-10)13-14(17-20-16-13)12(9)11-4-2-6-19-11;;;;;;;;/h1-4,7H;6*1H3;;
InChIKey
MBFGAZRENCVSAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
129.96
TPSA
25.78

LogP / Solubility

WLOGP
6.38
MLOGP
5.67
XLogP3
6.38
Consensus LogP
6.14
Log S (ESOL)
-8.09
Class (ESOL)
Insoluble
Log S (Ali)
-9.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.62
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)
-2.12

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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