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CAS 342017-94-1 2-(4-BROMOPHENYL)-6-CHLOROQUINOLINE-4-CARBOXYLICACID molecular structure lightbox
CAS RN: 342017-94-1

2-(4-BROMOPHENYL)-6-CHLOROQUINOLINE-4-CARBOXYLICACID

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260118 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260316 250mg In stock Shanghai Inquiry
Batchno.20250708 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20251117 5g Out of stock Inquiry
  • Product code: starshine_CAS342017-94-1
  • Purity/Analytical Methods: >99.0%
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342017-94-1 / 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylic acid

Standard CAS: 342017-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
342017-94-1
Multi CAS
No
Molecular Formula
C16H9BRCLNO2
Molecular Weight
362.600000
Exact Mass
360.950520
InChI
InChI=1S/C16H9BrClNO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
InChIKey
LCUJVPKQAPUUAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.85
TPSA
50.19

LogP / Solubility

WLOGP
5.02
MLOGP
4.43
XLogP3
4.7
Consensus LogP
4.72
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.42
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
Yes
Log Kp (skin permeation)
-1.37

Drug-likeness / Medicinal Chemistry

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

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