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CAS 25727-94-0 4-decylmorpholine molecular structure lightbox
CAS RN: 25727-94-0

4-decylmorpholine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS25727-94-0
  • Purity/Analytical Methods: >99.0%
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25727-94-0 / 4-decylmorpholine

Standard CAS: 25727-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25727-94-0
Multi CAS
No
Molecular Formula
C14H29NO
Molecular Weight
227.390000
Exact Mass
227.224915
SMILES
CCCCCCCCCCN1CCOCC1
InChI
InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-15-11-13-16-14-12-15/h2-14H2,1H3
InChIKey
KAXVRMIUQJXONY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
69.87
TPSA
12.47

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
4.4
Consensus LogP
3.64
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly 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)
-1.65

Drug-likeness / Medicinal Chemistry

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

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