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CAS 1801357-03-8 (3,6-dimethoxythieno[3,2-b]thiophene-2,5-diyl)bis(trimethylstannane) molecular structure lightbox
CAS RN: 1801357-03-8

(3,6-dimethoxythieno[3,2-b]thiophene-2,5-diyl)bis(trimethylstannane)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1801357-03-8
  • Purity/Analytical Methods: >99.0%
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1801357-03-8 / (3,6-dimethoxy-5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-trimethylstannane

Standard CAS: 1801357-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1801357-03-8
Multi CAS
No
Molecular Formula
C14H24O2S2Sn2
Molecular Weight
525.900000
Exact Mass
525.925580
SMILES
COC1=C(SC2=C1SC(=C2OC)[Sn](C)(C)C)[Sn](C)(C)C
InChI
InChI=1S/C8H6O2S2.6CH3.2Sn/c1-9-5-3-11-8-6(10-2)4-12-7(5)8;;;;;;;;/h1-2H3;6*1H3;;
InChIKey
UTUIUWNXQMSECA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
8
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
98.77
TPSA
18.46

LogP / Solubility

WLOGP
4.07
MLOGP
3.62
XLogP3
4.07
Consensus LogP
3.92
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
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)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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