CAS RN: 337508-68-6

6-MORPHOLIN-4-YL-PYRIDINE-3-SULFONYL CHLORIDE

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  • Product code: starshine_CAS337508-68-6
  • Purity/Analytical Methods: >99.0%
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337508-68-6 / 6-morpholin-4-ylpyridine-3-sulfonyl chloride

Standard CAS: 337508-68-6 Multi CAS: No

Basic Information

CAS
337508-68-6
Multi CAS
No
Molecular Formula
C9H11CLN2O3S
Molecular Weight
262.710000
Exact Mass
262.017891
InChI
InChI=1S/C9H11ClN2O3S/c10-16(13,14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7H,3-6H2
InChIKey
FZQDEGBLWSULKG-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
60.31
TPSA
59.5

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.72

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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