![CAS 6735-35-9 N-(n-Propyl)diethanolamine,[N,N-Bis(2-hydroxyethyl)-n-propylamine] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6735-35-9.gif)
CAS RN: 6735-35-9
N-(n-Propyl)diethanolamine,[N,N-Bis(2-hydroxyethyl)-n-propylamine]
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.20250813 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS6735-35-9
- Purity/Analytical Methods: >99.0%
6735-35-9 / 2-[2-hydroxyethyl(propyl)amino]ethanol
Basic Information
CAS
6735-35-9
Multi CAS
No
Molecular Formula
C7H17NO2
Molecular Weight
147.220000
Exact Mass
147.125929
InChI
InChI=1S/C7H17NO2/c1-2-3-8(4-6-9)5-7-10/h9-10H,2-7H2,1H3
InChIKey
OZICRFXCUVKDRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.9
TPSA
43.7
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.2
Consensus LogP
-0.27
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 6736-86-3 (2S,3R,4S,5S,6R)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-2,4,5,5a,6,6a-hexahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6736-86-3.gif)
