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CAS 5275-04-7 3-(3-Pyridinylmethyl)-1H-indole molecular structure lightbox
CAS RN: 5275-04-7

3-(3-Pyridinylmethyl)-1H-indole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250617 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5275-04-7
  • Purity/Analytical Methods: >99.0%
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5275-04-7 / 3-(pyridin-3-ylmethyl)-1H-indole

Standard CAS: 5275-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5275-04-7
Multi CAS
No
Molecular Formula
C14H12N2
Molecular Weight
208.260000
Exact Mass
208.100048
InChI
InChI=1S/C14H12N2/c1-2-6-14-13(5-1)12(10-16-14)8-11-4-3-7-15-9-11/h1-7,9-10,16H,8H2
InChIKey
ORBYFAFBEOHNKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.34
TPSA
28.68

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.1
Consensus LogP
3.01
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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