CAS RN: 2304444-54-8

Tributyl(6-undecylthieno[3,2-b]thiophen-2-yl)stannane

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260607 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250630 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260211 25g In stock Shanghai Inquiry
Batchno.20260518 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250915 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS2304444-54-8
  • Purity/Analytical Methods: >99.0%
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2304444-54-8 / tributyl-(3-undecylthieno[3,2-b]thiophen-5-yl)stannane

Standard CAS: 2304444-54-8 Multi CAS: No

Basic Information

CAS
2304444-54-8
Multi CAS
No
Molecular Formula
C29H52S2Sn
Molecular Weight
583.600000
Exact Mass
584.253247
SMILES
CCCCCCCCCCCC1=CSC2=C1SC(=C2)[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C17H25S2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-15-14-19-16-12-13-18-17(15)16;3*1-3-4-2;/h12,14H,2-11H2,1H3;3*1,3-4H2,2H3;
InChIKey
AZFHHHGTWOIXMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
8
Fraction Csp3
0.79
Rotatable bonds
20
H-bond acceptors
2
Molar refractivity
155.17
TPSA
56.5000

LogP / Solubility

WLOGP
11.09
MLOGP
9.81
XLogP3
11.09
Consensus LogP
10.66
Log S (ESOL)
-9.31
Class (ESOL)
Insoluble
Log S (Ali)
-12.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.06
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)
1.6

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
2.5

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