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CAS 66222-28-4 Stannane, tributyl[(phenylmethoxy)methyl]- molecular structure lightbox
CAS RN: 66222-28-4

Stannane, tributyl[(phenylmethoxy)methyl]-

  • Product code: SSC-175863
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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 66222-28-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

66222-28-4 / tributyl(phenylmethoxymethyl)stannane

Standard CAS: 66222-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66222-28-4
Multi CAS
No
Molecular Formula
C20H36NOS
Molecular Weight
411.200000
Exact Mass
412.178818
InChI
InChI=1S/C8H9O.3C4H9.Sn/c1-9-7-8-5-3-2-4-6-8;3*1-3-4-2;/h2-6H,1,7H2;3*1,3-4H2,2H3;
InChIKey
FUDSEWOJLUGPJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
13
H-bond acceptors
1
Molar refractivity
101
TPSA
9.23

LogP / Solubility

WLOGP
6.59
MLOGP
5.83
XLogP3
6.59
Consensus LogP
6.34
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
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)
-0.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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