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CAS 1007347-63-8 “(4,4’‐didodecyl‐2,2’‐bithiophene‐5,5’‐diyl)bis(triMethylstannane)” molecular structure lightbox
CAS RN: 1007347-63-8

“(4,4’‐didodecyl‐2,2’‐bithiophene‐5,5’‐diyl)bis(triMethylstannane)”

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260311 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260510 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260410 1g In stock Shanghai Inquiry
Batchno.20250401 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: starshine_CAS1007347-63-8
  • Purity/Analytical Methods: >99.0%
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1007347-63-8 / [3-dodecyl-5-(4-dodecyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]-trimethylstannane

ane) | diyl)bis(triMethylstann | bithiophene-5,5'-

Standard CAS: 1007347-63-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1007347-63-8
Multi CAS
Yes
Molecular Formula
C38H70S2Sn2
Molecular Weight
828.500000
Exact Mass
828.295700
SMILES
CCCCCCCCCCCCC1=C(SC(=C1)C2=CC(=C(S2)[Sn](C)(C)C)CCCCCCCCCCCC)[Sn](C)(C)C
InChI
InChI=1S/C32H52S2.6CH3.2Sn/c1-3-5-7-9-11-13-15-17-19-21-23-29-25-31(33-27-29)32-26-30(28-34-32)24-22-20-18-16-14-12-10-8-6-4-2;;;;;;;;/h25-26H,3-24H2,1-2H3;6*1H3;;
InChIKey
CWQJBIYNELJGBE-UHFFFAOYSA-N
Synonyms
ane) diyl)bis(triMethylstann bithiophene-5,5'- (4,4'-didodecyl-[2,2'-bithiophene]-5,5'-diyl)bis(trimethylstannane) (4,4'-didodecyl-2,2'-

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
10
Fraction Csp3
0.79
Rotatable bonds
25
H-bond acceptors
2
Molar refractivity
204.69
TPSA
56.5000

LogP / Solubility

WLOGP
13.49
MLOGP
11.95
XLogP3
13.49
Consensus LogP
12.98
Log S (ESOL)
-12
Class (ESOL)
Insoluble
Log S (Ali)
-16.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.25
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)
1.81

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
4

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