CAS RN: 25727-93-9

4-tetradecylmorpholine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS25727-93-9
  • Purity/Analytical Methods: >99.0%
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25727-93-9 / 4-tetradecylmorpholine

Standard CAS: 25727-93-9 Multi CAS: No

Basic Information

CAS
25727-93-9
Multi CAS
No
Molecular Formula
C18H37NO
Molecular Weight
283.500000
Exact Mass
283.287515
SMILES
CCCCCCCCCCCCCCN1CCOCC1
InChI
InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20-18-16-19/h2-18H2,1H3
InChIKey
JMJDXDJTXDRLAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
88.34
TPSA
12.47

LogP / Solubility

WLOGP
5.02
MLOGP
4.43
XLogP3
6.6
Consensus LogP
5.35
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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