CAS RN: 20198-87-2
N-octadecylbenzylamine
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.20260527 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS20198-87-2
- Purity/Analytical Methods: >99.0%
20198-87-2 / N-benzyloctadecan-1-amine
Basic Information
CAS
20198-87-2
Multi CAS
No
Molecular Formula
C25H45N
Molecular Weight
359.600000
Exact Mass
359.355200
SMILES
CCCCCCCCCCCCCCCCCCNCC1=CC=CC=C1
InChI
InChI=1S/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-24-25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3
InChIKey
OALZJIBCZVVPBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.76
Rotatable bonds
19
H-bond acceptors
1
H-bond donors
1
Molar refractivity
117.69
TPSA
12.03
LogP / Solubility
WLOGP
8.04
MLOGP
7.09
XLogP3
10.1
Consensus LogP
8.41
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-8.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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