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CAS 321430-00-6 N-(4-BROMOPHENYL)-2-(4-PYRIDINYL)-1,3-THIAZOLE-4-CARBOXAMIDE molecular structure lightbox
CAS RN: 321430-00-6

N-(4-BROMOPHENYL)-2-(4-PYRIDINYL)-1,3-THIAZOLE-4-CARBOXAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS321430-00-6
  • Purity/Analytical Methods: >99.0%
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321430-00-6 / N-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

Standard CAS: 321430-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321430-00-6
Multi CAS
No
Molecular Formula
BC15H10ORn3S
Molecular Weight
360.200000
Exact Mass
358.972800
InChI
InChI=1S/C15H10BrN3OS/c16-11-1-3-12(4-2-11)18-14(20)13-9-21-15(19-13)10-5-7-17-8-6-10/h1-9H,(H,18,20)
InChIKey
JSGPUBGVWVFUIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.44
TPSA
54.88

LogP / Solubility

WLOGP
4.22
MLOGP
3.73
XLogP3
3.4
Consensus LogP
3.78
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.92

Drug-likeness / Medicinal Chemistry

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

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