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CAS 850221-68-0 Pyrazine, 2-chloro-6-(tributylstannyl)- molecular structure lightbox
CAS RN: 850221-68-0

Pyrazine, 2-chloro-6-(tributylstannyl)-

  • Product code: SSC-192899
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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: 0.25g
  • 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 850221-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

850221-68-0 / tributyl-(6-chloropyrazin-2-yl)stannane

Standard CAS: 850221-68-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850221-68-0
Multi CAS
Yes
Molecular Formula
C16H29CLN2SN
Molecular Weight
403.600000
Exact Mass
404.104129
InChI
InChI=1S/C4H2ClN2.3C4H9.Sn/c5-4-3-6-1-2-7-4;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKey
ZJZZSOSLPVDQJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
91.58
TPSA
25.78

LogP / Solubility

WLOGP
5.19
MLOGP
4.59
XLogP3
5.19
Consensus LogP
4.99
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.5

Drug-likeness / Medicinal Chemistry

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

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