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CAS 1541-81-7 4-dodecylmorpholine molecular structure lightbox
CAS RN: 1541-81-7

4-dodecylmorpholine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei, Chongqing Inquiry
  • Product code: starshine_CAS1541-81-7
  • Purity/Analytical Methods: >99.0%
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1541-81-7 / 4-dodecylmorpholine

Standard CAS: 1541-81-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1541-81-7
Multi CAS
No
Molecular Formula
C16H33NO
Molecular Weight
255.440000
Exact Mass
255.256215
SMILES
CCCCCCCCCCCCN1CCOCC1
InChI
InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17/h2-16H2,1H3
InChIKey
ZRIILUSQBDFVNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
79.1
TPSA
12.47

LogP / Solubility

WLOGP
4.24
MLOGP
3.74
XLogP3
5.5
Consensus LogP
4.49
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
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)
-1.27

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

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