CAS RN: 35902-57-9
1-Dodecanamine,N-ethyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260112 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS35902-57-9
- Purity/Analytical Methods: >99.0%
35902-57-9 / N-ethyldodecan-1-amine
Basic Information
CAS
35902-57-9
Multi CAS
No
Molecular Formula
C14H31N
Molecular Weight
213.400000
Exact Mass
213.245650
InChI
InChI=1S/C14H31N/c1-3-5-6-7-8-9-10-11-12-13-14-15-4-2/h15H,3-14H2,1-2H3
InChIKey
LWIPGCTWFZCIKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.39
TPSA
12.03
LogP / Solubility
WLOGP
4.52
MLOGP
3.98
XLogP3
5.7
Consensus LogP
4.73
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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