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CAS 3068-76-6 Trimethoxy[3-(phenylamino)propyl]silane molecular structure lightbox
CAS RN: 3068-76-6

Trimethoxy[3-(phenylamino)propyl]silane

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260528 1kg Out of stock Inquiry
Batchno.20260630 25g In stock Shanghai Inquiry
Batchno.20250715 500g In stock Shanghai Inquiry
Batchno.20260320 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: ICTP1458
  • Purity/Analytical Methods: >98.0%(T)
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3068-76-6 / N-(3-trimethoxysilylpropyl)aniline

Standard CAS: 3068-76-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3068-76-6
Multi CAS
Yes
Molecular Formula
C12H21NO3Si
Molecular Weight
255.380000
Exact Mass
255.129070
InChI
InChI=1S/C12H21NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKey
KBJFYLLAMSZSOG-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.14
TPSA
39.72

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.37
Consensus LogP
2.28
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

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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