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CAS 745830-24-4 7-broMoquinoline-3-carbaldehyde molecular structure lightbox
CAS RN: 745830-24-4

7-broMoquinoline-3-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS745830-24-4
  • Purity/Analytical Methods: >99.0%
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745830-24-4 / 7-bromoquinoline-3-carbaldehyde

Standard CAS: 745830-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
745830-24-4
Multi CAS
No
Molecular Formula
BC10H6ORn
Molecular Weight
236.060000
Exact Mass
234.963280
InChI
InChI=1S/C10H6BrNO/c11-9-2-1-8-3-7(6-13)5-12-10(8)4-9/h1-6H
InChIKey
XQKNZUWXMUYLKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.83
TPSA
29.96

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
2.3
Consensus LogP
2.53
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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