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CAS 470463-42-4 4-(5-IODO-PYRIDIN-2-YL)-MORPHOLINE molecular structure lightbox
CAS RN: 470463-42-4

4-(5-IODO-PYRIDIN-2-YL)-MORPHOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS470463-42-4
  • Purity/Analytical Methods: >99.0%
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470463-42-4 / 4-(5-iodo-2-pyridinyl)morpholine

Standard CAS: 470463-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
470463-42-4
Multi CAS
Yes
Molecular Formula
C9H11In2O
Molecular Weight
290.100000
Exact Mass
289.991610
InChI
InChI=1S/C9H11IN2O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
InChIKey
RBMHFKCAFPUVRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.99
TPSA
25.36

LogP / Solubility

WLOGP
1.52
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-3.41

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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