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CAS 1025746-10-4 2-ETHOXY-5-(TRIBUTYLSTANNYL)PYRIMIDINE molecular structure lightbox
CAS RN: 1025746-10-4

2-ETHOXY-5-(TRIBUTYLSTANNYL)PYRIMIDINE

  • Product code: SSC-003848
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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 1025746-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1025746-10-4 / tributyl-(2-ethoxypyrimidin-5-yl)stannane

2-Ethoxy-5-(tributylstannyl)pyrimidine | DTXSID60586037 | RefChem:260354

Standard CAS: 1025746-10-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1025746-10-4
Multi CAS
Yes
Molecular Formula
C18H34N2OSn
Molecular Weight
413.200000
Exact Mass
414.169316
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN=C(N=C1)OCC
InChI
InChI=1S/C6H7N2O.3C4H9.Sn/c1-2-9-6-7-4-3-5-8-6;3*1-3-4-2;/h4-5H,2H2,1H3;3*1,3-4H2,2H3;
InChIKey
KNCOSDYXPAQHNJ-UHFFFAOYSA-N
Synonyms
2-Ethoxy-5-(tributylstannyl)pyrimidine DTXSID60586037 RefChem:260354 DTXCID30536802 tributyl-(2-ethoxypyrimidin-5-yl)stannane

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.78
Rotatable bonds
12
H-bond acceptors
3
Molar refractivity
97.73
TPSA
35.01

LogP / Solubility

WLOGP
4.93
MLOGP
4.37
XLogP3
4.93
Consensus LogP
4.74
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.88
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)
-1.74

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501

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