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CAS 1638802-06-8 Tributyl-[4-(2-butyl-octyl)-thiophen-2-yl]-stannane molecular structure lightbox
CAS RN: 1638802-06-8

Tributyl-[4-(2-butyl-octyl)-thiophen-2-yl]-stannane

  • Product code: SSC-071488
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1638802-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1638802-06-8 / tributyl-[4-(2-butyloctyl)thiophen-2-yl]stannane

Standard CAS: 1638802-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638802-06-8
Multi CAS
No
Molecular Formula
C28H54SSn
Molecular Weight
541.500000
Exact Mass
542.296825
SMILES
CCCCCCC(CCCC)CC1=CSC(=C1)[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C16H27S.3C4H9.Sn/c1-3-5-7-8-10-15(9-6-4-2)13-16-11-12-17-14-16;3*1-3-4-2;/h11,14-15H,3-10,13H2,1-2H3;3*1,3-4H2,2H3;
InChIKey
YMMGGKFPPDSVFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
5
Fraction Csp3
0.86
Rotatable bonds
20
H-bond acceptors
1
Molar refractivity
144.33
TPSA
28.2000

LogP / Solubility

WLOGP
10.12
MLOGP
8.95
XLogP3
10.12
Consensus LogP
9.73
Log S (ESOL)
-8.38
Class (ESOL)
Insoluble
Log S (Ali)
-11.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.16

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
3

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