![CAS 39669-97-1 N-[3-(dimethylamino)propyl]hexadecan-1-amide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39669-97-1.gif)
CAS RN: 39669-97-1
N-[3-(dimethylamino)propyl]hexadecan-1-amide
- Product code: SSC-147376
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
39669-97-1 / N-[3-(dimethylamino)propyl]hexadecanamide
Basic Information
CAS
39669-97-1
Multi CAS
No
Molecular Formula
C21H44N2O
Molecular Weight
340.600000
Exact Mass
340.345364
InChI
InChI=1S/C21H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3/h4-20H2,1-3H3,(H,22,24)
InChIKey
BDHJUCZXTYXGCZ-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
18
H-bond acceptors
2
H-bond donors
1
Molar refractivity
106.49
TPSA
32.34
LogP / Solubility
WLOGP
5.54
MLOGP
4.89
XLogP3
7.3
Consensus LogP
5.91
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 39674-97-0 4-HYDROXY-3,3-DIMETHYL-2H-BENZO[G]INDOLE-2,5(3H)-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39674-97-0.gif)
