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CAS 132475-60-6 2-BROMO-N-HYDROXY-BENZAMIDINE molecular structure lightbox
CAS RN: 132475-60-6

2-BROMO-N-HYDROXY-BENZAMIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS132475-60-6
  • Purity/Analytical Methods: >99.0%
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132475-60-6 / 2-bromo-N'-hydroxybenzenecarboximidamide

Standard CAS: 132475-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132475-60-6
Multi CAS
No
Molecular Formula
C7H7BrN2O
Molecular Weight
215.050000
Exact Mass
213.974180
SMILES
C1=CC=C(C(=C1)C(=NO)N)Br
InChI
InChI=1S/C7H7BrN2O/c8-6-4-2-1-3-5(6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKey
ONQOWPJQZVMMQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.65
TPSA
58.61

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1
Consensus LogP
1.3
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

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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