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CAS 19983-28-9 Morpholine, 4-(4-phenyl-2-thiazolyl)- molecular structure lightbox
CAS RN: 19983-28-9

Morpholine, 4-(4-phenyl-2-thiazolyl)-

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Batchno.20251013 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS19983-28-9
  • Purity/Analytical Methods: >99.0%
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19983-28-9 / 4-(4-phenyl-1,3-thiazol-2-yl)morpholine

Standard CAS: 19983-28-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19983-28-9
Multi CAS
No
Molecular Formula
C13H14N2OS
Molecular Weight
246.330000
Exact Mass
246.082684
SMILES
C1COCCN1C2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C13H14N2OS/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2
InChIKey
MRNNJVNMXOZEQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
70.58
TPSA
25.36

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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