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CAS 111918-90-2 3-(Methoxydimethylsilyl)propyl Acrylate (stabilized with MEHQ) molecular structure lightbox
CAS RN: 111918-90-2

3-(Methoxydimethylsilyl)propyl Acrylate (stabilized with MEHQ)

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260207 10g Out of stock Inquiry
Batchno.20260512 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250123 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251227 5g In stock Tianjin, Chengdu Inquiry
  • Product code: ICTM2525
  • Purity/Analytical Methods: >95.0%(GC)
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111918-90-2 / 3-[methoxy(dimethyl)silyl]propyl prop-2-enoate

3-(methoxydimethylsilyl)propyl acrylate | RefChem:495404 | 808-142-2

Standard CAS: 111918-90-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111918-90-2
Multi CAS
No
Molecular Formula
C9H18O3Si
Molecular Weight
202.320000
Exact Mass
202.102521
SMILES
CO[Si](C)(C)CCCOC(=O)C=C
InChI
InChI=1S/C9H18O3Si/c1-5-9(10)12-7-6-8-13(3,4)11-2/h5H,1,6-8H2,2-4H3
InChIKey
ZCRUJAKCJLCJCP-UHFFFAOYSA-N
Synonyms
3-(methoxydimethylsilyl)propyl acrylate RefChem:495404 808-142-2 (3-Acryloxypropyl)dimethylmethoxysilane 2-Propenoic acid, 3-(methoxydimethylsilyl)propyl ester

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
55.07
TPSA
35.53

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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