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CAS 18418-72-9 Bis(triethoxysilyl)methane molecular structure lightbox
CAS RN: 18418-72-9

Bis(triethoxysilyl)methane

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251105 100g In stock Shanghai Inquiry
Batchno.20250706 10g In stock Shanghai Inquiry
Batchno.20251203 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250528 5g In stock Shanghai, Chengdu Inquiry
  • Product code: ICTT3936
  • Purity/Analytical Methods: >95.0%(GC)
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18418-72-9 / triethoxy(triethoxysilylmethyl)silane

Standard CAS: 18418-72-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18418-72-9
Multi CAS
No
Molecular Formula
C13H32O6Si2
Molecular Weight
340.560000
Exact Mass
340.173742
SMILES
CCO[Si](C[Si](OCC)(OCC)OCC)(OCC)OCC
InChI
InChI=1S/C13H32O6Si2/c1-7-14-20(15-8-2,16-9-3)13-21(17-10-4,18-11-5)19-12-6/h7-13H2,1-6H3
InChIKey
NIINUVYELHEORX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
86.07
TPSA
55.38

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
2.62
Consensus LogP
2.52
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral] H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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