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CAS 885280-26-2 5-Bromobenzimidazole-2-carboxaldehyde molecular structure lightbox
CAS RN: 885280-26-2

5-Bromobenzimidazole-2-carboxaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS885280-26-2
  • Purity/Analytical Methods: >99.0%
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885280-26-2 / 6-bromo-1H-benzimidazole-2-carbaldehyde

Standard CAS: 885280-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885280-26-2
Multi CAS
No
Molecular Formula
BC8H5ORn2
Molecular Weight
225.040000
Exact Mass
223.958530
InChI
InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-4H,(H,10,11)
InChIKey
YILYMJBPLFCXEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.18
TPSA
45.75

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.57

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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