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CAS 55737-11-6 1-(2-BroMo-6-nitrophenyl)ethanone molecular structure lightbox
CAS RN: 55737-11-6

1-(2-BroMo-6-nitrophenyl)ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS55737-11-6
  • Purity/Analytical Methods: >99.0%
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55737-11-6 / 1-(2-bromo-6-nitrophenyl)ethanone

Standard CAS: 55737-11-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55737-11-6
Multi CAS
No
Molecular Formula
BC8H6O3Rn
Molecular Weight
244.040000
Exact Mass
242.953110
InChI
InChI=1S/C8H6BrNO3/c1-5(11)8-6(9)3-2-4-7(8)10(12)13/h2-4H,1H3
InChIKey
QRRSPSMUACXMEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
50.8
TPSA
60.21

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-2.39

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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