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CAS 5565-85-5 5,5-diMethyl-5H-dibenzo[b,d]stannole molecular structure lightbox
CAS RN: 5565-85-5

5,5-diMethyl-5H-dibenzo[b,d]stannole

  • Product code: SSC-163571
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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 5565-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

5565-85-5 / 5,5-dimethylbenzo[b][1]benzostannole

Standard CAS: 5565-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5565-85-5
Multi CAS
No
Molecular Formula
C14H14NS
Molecular Weight
300.970000
Exact Mass
302.011753
InChI
InChI=1S/C12H8.2CH3.Sn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;/h1-7,9H;2*1H3;
InChIKey
OVZIGEYYLWRWPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.14
Molar refractivity
68.63
TPSA
0.0000

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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

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