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CAS 13063-60-0 4-octylmorpholine molecular structure lightbox
CAS RN: 13063-60-0

4-octylmorpholine

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 1g In stock Inquiry
Batchno.20250606 250mg In stock Inquiry
Batchno.20250712 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250713 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13063-60-0
  • Purity/Analytical Methods: >99.0%
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13063-60-0 / 4-octylmorpholine

Standard CAS: 13063-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13063-60-0
Multi CAS
No
Molecular Formula
C12H25NO
Molecular Weight
199.330000
Exact Mass
199.193614
SMILES
CCCCCCCCN1CCOCC1
InChI
InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h2-12H2,1H3
InChIKey
NMLNNXGEQCSYGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
60.64
TPSA
12.47

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
3.3
Consensus LogP
2.78
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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)
-2.03

Drug-likeness / Medicinal Chemistry

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

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