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CAS 18418-53-6 N,N-bis(3-Trimethoxysilylpropyl)urea molecular structure lightbox
CAS RN: 18418-53-6

N,N-bis(3-Trimethoxysilylpropyl)urea

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250603 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS18418-53-6
  • Purity/Analytical Methods: >99.0%
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18418-53-6 / 1,3-bis(3-trimethoxysilylpropyl)urea

Standard CAS: 18418-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18418-53-6
Multi CAS
No
Molecular Formula
C13H32N2O7Si2
Molecular Weight
384.570000
Exact Mass
384.174804
SMILES
CO[Si](CCCNC(=O)NCCC[Si](OC)(OC)OC)(OC)OC
InChI
InChI=1S/C13H32N2O7Si2/c1-17-23(18-2,19-3)11-7-9-14-13(16)15-10-8-12-24(20-4,21-5)22-6/h7-12H2,1-6H3,(H2,14,15,16)
InChIKey
HSDGFGSXXVWDET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.92
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
2
Molar refractivity
93.81
TPSA
96.51

LogP / Solubility

WLOGP
0.82
MLOGP
0.75
XLogP3
0.82
Consensus LogP
0.8
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.48

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

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