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CAS 1305207-80-0 4-CHLORO-5-BROMOQUINOLINE(WX130359) molecular structure lightbox
CAS RN: 1305207-80-0

4-CHLORO-5-BROMOQUINOLINE(WX130359)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1305207-80-0
  • Purity/Analytical Methods: >99.0%
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1305207-80-0 / 5-bromo-4-chloroquinoline

Standard CAS: 1305207-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1305207-80-0
Multi CAS
No
Molecular Formula
C9H5BrClN
Molecular Weight
242.500000
Exact Mass
240.929390
SMILES
C1=CC2=NC=CC(=C2C(=C1)Br)Cl
InChI
InChI=1S/C9H5BrClN/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-5H
InChIKey
JSLHJVFWHZWSQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.45
TPSA
12.89

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-1.61

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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