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CAS 311774-34-2 4-[(6-CHLOROPYRIDIN-3-YL)METHYL]MORPHOLINE molecular structure lightbox
CAS RN: 311774-34-2

4-[(6-CHLOROPYRIDIN-3-YL)METHYL]MORPHOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS311774-34-2
  • Purity/Analytical Methods: >99.0%
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311774-34-2 / 4-[(6-chloro-3-pyridinyl)methyl]morpholine

Standard CAS: 311774-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
311774-34-2
Multi CAS
No
Molecular Formula
C10H13CLN2O
Molecular Weight
212.670000
Exact Mass
212.071641
InChI
InChI=1S/C10H13ClN2O/c11-10-2-1-9(7-12-10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2
InChIKey
SGGCJTJHZSXKJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.34
TPSA
25.36

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1
Consensus LogP
1.32
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

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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