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CAS 107759-58-0 N-succinimidyl 4-(tri-n-butylstannyl)benzoate molecular structure lightbox
CAS RN: 107759-58-0

N-succinimidyl 4-(tri-n-butylstannyl)benzoate

  • Product code: SSC-009171
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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 107759-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

107759-58-0 / (2,5-dioxopyrrolidin-1-yl) 4-tributylstannylbenzoate

N-Succinimidyl 4-(tri-n-butylstannyl)benzoate | p-Buate | DTXSID00148234

Standard CAS: 107759-58-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107759-58-0
Multi CAS
Yes
Molecular Formula
C23H35NO4Sn
Molecular Weight
508.200000
Exact Mass
509.158811
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C11H8NO4.3C4H9.Sn/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8;3*1-3-4-2;/h2-5H,6-7H2;3*1,3-4H2,2H3;
InChIKey
LOYKOFHWTNBVBE-UHFFFAOYSA-N
Synonyms
N-Succinimidyl 4-(tri-n-butylstannyl)benzoate p-Buate DTXSID00148234 RefChem:164204 DTXCID1070725

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
117.48
TPSA
63.68

LogP / Solubility

WLOGP
4.96
MLOGP
4.4
XLogP3
4.96
Consensus LogP
4.77
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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