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CAS 850663-78-4 2-bromo-5-nitro-N-phenyl-4-pyridinamine molecular structure lightbox
CAS RN: 850663-78-4

2-bromo-5-nitro-N-phenyl-4-pyridinamine

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN927146
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850663-78-4 / 2-bromo-5-nitro-N-phenylpyridin-4-amine

Standard CAS: 850663-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850663-78-4
Multi CAS
No
Molecular Formula
BC11H8O2Rn3
Molecular Weight
294.100000
Exact Mass
292.979990
InChI
InChI=1S/C11H8BrN3O2/c12-11-6-9(10(7-13-11)15(16)17)14-8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKey
UGJJXLPPSPCVPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.32
TPSA
68.06

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.8
Consensus LogP
3.46
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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