CAS RN: 1367348-25-1

N-(N-ACETYLLEUCYL)-3-AMINOPROPYLTRIETHOXYSILANE

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  • Product code: starshine_CAS1367348-25-1
  • Purity/Analytical Methods: >99.0%
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1367348-25-1 / 2-acetamido-4-methyl-N-(3-triethoxysilylpropyl)pentanamide

Standard CAS: 1367348-25-1 Multi CAS: No

Basic Information

CAS
1367348-25-1
Multi CAS
No
Molecular Formula
C17H36N2O5Si
Molecular Weight
376.600000
Exact Mass
376.239349
SMILES
CCO[Si](CCCNC(=O)C(CC(C)C)NC(=O)C)(OCC)OCC
InChI
InChI=1S/C17H36N2O5Si/c1-7-22-25(23-8-2,24-9-3)12-10-11-18-17(21)16(13-14(4)5)19-15(6)20/h14,16H,7-13H2,1-6H3,(H,18,21)(H,19,20)
InChIKey
QFPUYYCUPICGNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.88
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
2
Molar refractivity
100.13
TPSA
85.89

LogP / Solubility

WLOGP
2.09
MLOGP
1.86
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53

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
3

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