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CAS 914349-66-9 3-NAPHTHALEN-1-YL-THIOMORPHOLINE molecular structure lightbox
CAS RN: 914349-66-9

3-NAPHTHALEN-1-YL-THIOMORPHOLINE

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4 package records0 with current stock2 grade groups
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Batchno.20250421 5g Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS914349-66-9
  • Purity/Analytical Methods: >99.0%
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914349-66-9 / 3-naphthalen-1-ylthiomorpholine

Standard CAS: 914349-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914349-66-9
Multi CAS
No
Molecular Formula
C14H15NS
Molecular Weight
229.340000
Exact Mass
229.092521
InChI
InChI=1S/C14H15NS/c1-2-6-12-11(4-1)5-3-7-13(12)14-10-16-9-8-15-14/h1-7,14-15H,8-10H2
InChIKey
JROQJAPTCKSEBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.02
TPSA
12.03

LogP / Solubility

WLOGP
3.22
MLOGP
2.83
XLogP3
3
Consensus LogP
3.02
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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