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CAS 106762-44-1 Morpholine, 4-(2-pyridinylsulfonyl)- molecular structure lightbox
CAS RN: 106762-44-1

Morpholine, 4-(2-pyridinylsulfonyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260111 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS106762-44-1
  • Purity/Analytical Methods: >99.0%
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106762-44-1 / 4-pyridin-2-ylsulfonylmorpholine

4-(Pyridin-2-ylsulfonyl)morpholine | 4-(Pyridine-2-sulfonyl)-morpholine | 4-(Pyridine-2-sulfonyl)morpholine

Standard CAS: 106762-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106762-44-1
Multi CAS
No
Molecular Formula
C9H12N2O3S
Molecular Weight
228.270000
Exact Mass
228.056863
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC=N2
InChI
InChI=1S/C9H12N2O3S/c12-15(13,9-3-1-2-4-10-9)11-5-7-14-8-6-11/h1-4H,5-8H2
InChIKey
AKOCZCRMKRLYJH-UHFFFAOYSA-N
Synonyms
4-(Pyridin-2-ylsulfonyl)morpholine 4-(Pyridine-2-sulfonyl)-morpholine 4-(Pyridine-2-sulfonyl)morpholine Morpholine, 4-(2-pyridinylsulfonyl)- 4-pyridin-2-ylsulfonylmorpholine

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.81
TPSA
59.5

LogP / Solubility

WLOGP
0.1
MLOGP
0.09
Consensus LogP
0.06
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-4.04

Drug-likeness / Medicinal Chemistry

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

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