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CAS 253788-37-3 11-CYANOUNDECYLTRIMETHOXYSILANE molecular structure lightbox
CAS RN: 253788-37-3

11-CYANOUNDECYLTRIMETHOXYSILANE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260529 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS253788-37-3
  • Purity/Analytical Methods: >99.0%
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253788-37-3 / 12-trimethoxysilyldodecanenitrile

Standard CAS: 253788-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253788-37-3
Multi CAS
No
Molecular Formula
C15H31NO3Si
Molecular Weight
301.500000
Exact Mass
301.207320
SMILES
CO[Si](CCCCCCCCCCCC#N)(OC)OC
InChI
InChI=1S/C15H31NO3Si/c1-17-20(18-2,19-3)15-13-11-9-7-5-4-6-8-10-12-14-16/h4-13,15H2,1-3H3
InChIKey
SFTBFZCLFNNXEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
83.37
TPSA
51.48

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.29
Consensus LogP
4.12
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.86
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

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
1.5

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