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CAS 52598-02-4 5-CHLORO-2,3-DIPHENYL-1H-INDOLE molecular structure lightbox
CAS RN: 52598-02-4

5-CHLORO-2,3-DIPHENYL-1H-INDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS52598-02-4
  • Purity/Analytical Methods: >99.0%
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52598-02-4 / 5-chloro-2,3-diphenyl-1H-indole

Standard CAS: 52598-02-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52598-02-4
Multi CAS
Yes
Molecular Formula
C20H14CLN
Molecular Weight
303.800000
Exact Mass
303.081477
InChI
InChI=1S/C20H14ClN/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13,22H
InChIKey
BAEWCDBRAIDXMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond donors
1
Molar refractivity
94.18
TPSA
15.79

LogP / Solubility

WLOGP
6.16
MLOGP
5.43
XLogP3
6
Consensus LogP
5.86
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.2

Drug-likeness / Medicinal Chemistry

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

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