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CAS 505052-64-2 4-(5-BROMO-3-NITRO-PYRIDIN-2-YL)-MORPHOLINE molecular structure lightbox
CAS RN: 505052-64-2

4-(5-BROMO-3-NITRO-PYRIDIN-2-YL)-MORPHOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS505052-64-2
  • Purity/Analytical Methods: >99.0%
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505052-64-2 / 4-(5-bromo-3-nitro-2-pyridinyl)morpholine

Standard CAS: 505052-64-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
505052-64-2
Multi CAS
No
Molecular Formula
BC9H10O3Rn3
Molecular Weight
288.100000
Exact Mass
286.990550
InChI
InChI=1S/C9H10BrN3O3/c10-7-5-8(13(14)15)9(11-6-7)12-1-3-16-4-2-12/h5-6H,1-4H2
InChIKey
WWQJIRVJWYMVDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
61.62
TPSA
68.5

LogP / Solubility

WLOGP
1.59
MLOGP
1.41
XLogP3
1.5
Consensus LogP
1.5
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

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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