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CAS 321351-00-2 EO 1428 molecular structure lightbox
CAS RN: 321351-00-2

EO 1428

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS321351-00-2
  • Purity/Analytical Methods: >99.0%
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321351-00-2 / [4-(2-amino-4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone

Standard CAS: 321351-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321351-00-2
Multi CAS
No
Molecular Formula
C20H16BRCLN2O
Molecular Weight
415.700000
Exact Mass
414.013450
InChI
InChI=1S/C20H16BrClN2O/c1-12-4-2-3-5-15(12)20(25)16-8-7-14(11-17(16)22)24-19-9-6-13(21)10-18(19)23/h2-11,24H,23H2,1H3
InChIKey
HDCLCHNAEZNGNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
107.9
TPSA
55.12

LogP / Solubility

WLOGP
5.97
MLOGP
5.28
XLogP3
5.8
Consensus LogP
5.68
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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