CAS RN: 6947-12-2
6-(DIETHYLAMINO)-1-HEXANOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250715 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6947-12-2
- Purity/Analytical Methods: >99.0%
6947-12-2 / 6-(diethylamino)hexan-1-ol
Basic Information
CAS
6947-12-2
Multi CAS
Yes
Molecular Formula
C10H23NO
Molecular Weight
173.300000
Exact Mass
173.177964
InChI
InChI=1S/C10H23NO/c1-3-11(4-2)9-7-5-6-8-10-12/h12H,3-10H2,1-2H3
InChIKey
YLNQOWCLZJQJLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.34
TPSA
23.47
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Purity/Analytical method: >99.0%
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