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CAS 872277-48-0 3-(3-AMINOPHENOXY)TRIMETHOXYSILANE molecular structure lightbox
CAS RN: 872277-48-0

3-(3-AMINOPHENOXY)TRIMETHOXYSILANE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS872277-48-0
  • Purity/Analytical Methods: >99.0%
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872277-48-0 / 3-(3,5-dipyridin-3-ylphenyl)pyridine

Standard CAS: 872277-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
872277-48-0
Multi CAS
No
Molecular Formula
C21H15N3
Molecular Weight
309.400000
Exact Mass
309.126597
InChI
InChI=1S/C21H15N3/c1-4-16(13-22-7-1)19-10-20(17-5-2-8-23-14-17)12-21(11-19)18-6-3-9-24-15-18/h1-15H
InChIKey
FGQUDGFWPWKPBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
96.14
TPSA
38.67

LogP / Solubility

WLOGP
4.87
MLOGP
4.3
XLogP3
3.6
Consensus LogP
4.26
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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