![CAS 69709-01-9 N,N,N’,N’-tetramethyl-N”-[3-(trimethoxysilyl)propyl]guanidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69709-01-9.gif)
CAS RN: 69709-01-9
N,N,N’,N’-tetramethyl-N”-[3-(trimethoxysilyl)propyl]guanidine
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS69709-01-9
- Purity/Analytical Methods: >99.0%
69709-01-9 / 1,1,3,3-tetramethyl-2-(3-trimethoxysilylpropyl)guanidine
Basic Information
CAS
69709-01-9
Multi CAS
No
Molecular Formula
C11H27N3O3Si
Molecular Weight
277.440000
Exact Mass
277.182168
InChI
InChI=1S/C11H27N3O3Si/c1-13(2)11(14(3)4)12-9-8-10-18(15-5,16-6)17-7/h8-10H2,1-7H3
InChIKey
ZUEIRGBMFHHKAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
75.88
TPSA
46.53
LogP / Solubility
WLOGP
0.73
MLOGP
0.66
XLogP3
0.73
Consensus LogP
0.71
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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