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CAS 603311-31-5 7-BROMOBENZOFURAN-5-OL molecular structure lightbox
CAS RN: 603311-31-5

7-BROMOBENZOFURAN-5-OL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260405 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS603311-31-5
  • Purity/Analytical Methods: >99.0%
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603311-31-5 / 7-bromo-1-benzofuran-5-ol

Standard CAS: 603311-31-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
603311-31-5
Multi CAS
No
Molecular Formula
C8H5BRO2
Molecular Weight
213.030000
Exact Mass
211.947290
InChI
InChI=1S/C8H5BrO2/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,10H
InChIKey
JTCHQLUMIXTTFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.58
TPSA
33.37

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.96

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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