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CAS 897016-96-5 4-(4-broMo-3-fluorobenzyl)Morpholine molecular structure lightbox
CAS RN: 897016-96-5

4-(4-broMo-3-fluorobenzyl)Morpholine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 100mg / 250mg / 500mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS897016-96-5
  • Purity/Analytical Methods: >99.0%
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897016-96-5 / 4-[(4-bromo-3-fluorophenyl)methyl]morpholine

Standard CAS: 897016-96-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
897016-96-5
Multi CAS
No
Molecular Formula
BC11H13NORf
Molecular Weight
274.130000
Exact Mass
273.016450
InChI
InChI=1S/C11H13BrFNO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKey
AXLRZCPFGFYXIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.2
TPSA
12.47

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.67

Drug-likeness / Medicinal Chemistry

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

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