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CAS 100045-83-8 tributyl((methoxymethoxy)methyl)stannane molecular structure lightbox
CAS RN: 100045-83-8

tributyl((methoxymethoxy)methyl)stannane

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  • Product code: starshine_CAS100045-83-8
  • Purity/Analytical Methods: >99.0%
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100045-83-8 / tributyl(methoxymethoxymethyl)stannane

100045-83-8 | Tributyl[(methoxymethoxy)methyl]stannane | Tributyl((methoxymethoxy)methyl)stannane

Standard CAS: 100045-83-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100045-83-8
Multi CAS
Yes
Molecular Formula
C15H34O2Sn
Molecular Weight
365.140000
Exact Mass
366.158083
SMILES
CCCC[Sn](CCCC)(CCCC)COCOC
InChI
InChI=1S/3C4H9.C3H7O2.Sn/c3*1-3-4-2;1-4-3-5-2;/h3*1,3-4H2,2H3;1,3H2,2H3;
InChIKey
MHKKJWZUBFCJSI-UHFFFAOYSA-N
Synonyms
100045-83-8 Tributyl[(methoxymethoxy)methyl]stannane Tributyl((methoxymethoxy)methyl)stannane DTXSID20400644 RefChem:385803

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
82.73
TPSA
18.46

LogP / Solubility

WLOGP
5
MLOGP
4.42
XLogP3
5
Consensus LogP
4.81
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
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)
-1.4

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
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant 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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