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CAS 59488-34-5 4-BROMO-2-NITROPHENYLHYDRAZINE molecular structure lightbox
CAS RN: 59488-34-5

4-BROMO-2-NITROPHENYLHYDRAZINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS59488-34-5
  • Purity/Analytical Methods: >99.0%
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59488-34-5 / (4-bromo-2-nitrophenyl)hydrazine

Standard CAS: 59488-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59488-34-5
Multi CAS
No
Molecular Formula
BC6H6O2Rn3
Molecular Weight
232.030000
Exact Mass
230.964340
InChI
InChI=1S/C6H6BrN3O2/c7-4-1-2-5(9-8)6(3-4)10(11)12/h1-3,9H,8H2
InChIKey
RMMLHCYLAJHQDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.61
TPSA
81.19

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
2.3
Consensus LogP
1.8
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

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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