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CAS 120218-28-2 3-(N-CYCLOHEXYLAMINO)PROPYLMETHYLDIMETHOXYSILANE molecular structure lightbox
CAS RN: 120218-28-2

3-(N-CYCLOHEXYLAMINO)PROPYLMETHYLDIMETHOXYSILANE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250806 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS120218-28-2
  • Purity/Analytical Methods: >99.0%
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120218-28-2 / N-[3-[dimethoxy(methyl)silyl]propyl]cyclohexanamine

3-(N-CYCLOHEXYLAMINO)PROPYLMETHYLDIMETHOXYSILANE | RefChem:495660 | 601-684-9

Standard CAS: 120218-28-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120218-28-2
Multi CAS
Yes
Molecular Formula
C12H27NO2Si
Molecular Weight
245.430000
Exact Mass
245.181106
SMILES
CO[Si](C)(CCCNC1CCCCC1)OC
InChI
InChI=1S/C12H27NO2Si/c1-14-16(3,15-2)11-7-10-13-12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3
InChIKey
DRRZZMBHJXLZRS-UHFFFAOYSA-N
Synonyms
3-(N-CYCLOHEXYLAMINO)PROPYLMETHYLDIMETHOXYSILANE RefChem:495660 601-684-9 N-(3-(Dimethoxy(methyl)silyl)propyl)cyclohexanamine N-[3-[dimethoxy(methyl)silyl]propyl]cyclohexanamine

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.94
TPSA
30.49

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-2.33

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

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.

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