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CAS 14254-22-9 DI-N-BUTYLBUTOXYCHLOROTIN molecular structure lightbox
CAS RN: 14254-22-9

DI-N-BUTYLBUTOXYCHLOROTIN

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Batchno.20250516 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS14254-22-9
  • Purity/Analytical Methods: >99.0%
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14254-22-9 / butoxy-dibutyl-chlorostannane

Standard CAS: 14254-22-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14254-22-9
Multi CAS
No
Molecular Formula
C12H27ClOSn
Molecular Weight
341.500000
Exact Mass
342.077246
SMILES
CCCCO[Sn](CCCC)(CCCC)Cl
InChI
InChI=1S/C4H9O.2C4H9.ClH.Sn/c1-2-3-4-5;2*1-3-4-2;;/h2-4H2,1H3;2*1,3-4H2,2H3;1H;/q-1;;;;+2/p-1
InChIKey
HMNBEAWAEJQTRZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
71.9
TPSA
9.23

LogP / Solubility

WLOGP
5.08
MLOGP
4.49
XLogP3
5.08
Consensus LogP
4.88
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
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
No
Log Kp (skin permeation)
-1.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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