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CAS 224638-27-1 Si 121 molecular structure lightbox
CAS RN: 224638-27-1

Si 121

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260624 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS224638-27-1
  • Purity/Analytical Methods: >99.0%
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224638-27-1 / N-[3-[dimethoxy(methyl)silyl]propyl]-N',N'-dimethylpropane-1,3-diamine

Standard CAS: 224638-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
224638-27-1
Multi CAS
No
Molecular Formula
C11H28N2O2Si
Molecular Weight
248.440000
Exact Mass
248.192005
SMILES
CN(C)CCCNCCC[Si](C)(OC)OC
InChI
InChI=1S/C11H28N2O2Si/c1-13(2)10-6-8-12-9-7-11-16(5,14-3)15-4/h12H,6-11H2,1-5H3
InChIKey
LZWFTMZUDLGKMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.1
TPSA
33.73

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.54
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)
-3.32

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

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