CAS RN: 3725-39-1
1-Morpholino-1-cyclododecene
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-144611
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
3725-39-1 / 4-(cyclododecen-1-yl)morpholine
Basic Information
CAS
3725-39-1
Multi CAS
Yes
Molecular Formula
C16H29NO
Molecular Weight
251.410000
Exact Mass
251.224915
InChI
InChI=1S/C16H29NO/c1-2-4-6-8-10-16(11-9-7-5-3-1)17-12-14-18-15-13-17/h10H,1-9,11-15H2
InChIKey
SZTBSJOMNRSBGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
76.65
TPSA
12.47
LogP / Solubility
WLOGP
4.12
MLOGP
3.63
XLogP3
5
Consensus LogP
4.25
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
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)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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