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CAS 220939-68-4 3-BroMo-5-chlorofuro[3,2-b]pyridine molecular structure lightbox
CAS RN: 220939-68-4

3-BroMo-5-chlorofuro[3,2-b]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS220939-68-4
  • Purity/Analytical Methods: >99.0%
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220939-68-4 / 3-bromo-5-chlorofuro[3,2-b]pyridine

Standard CAS: 220939-68-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220939-68-4
Multi CAS
No
Molecular Formula
C7H3BrClNO
Molecular Weight
232.460000
Exact Mass
230.908650
SMILES
C1=CC(=NC2=C1OC=C2Br)Cl
InChI
InChI=1S/C7H3BrClNO/c8-4-3-11-5-1-2-6(9)10-7(4)5/h1-3H
InChIKey
GCGRPUSQCXUZHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
46.72
TPSA
26.03

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.84

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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