CAS RN: 744203-60-9
2-(2-(6-chlorohexyloxy)ethoxy)ethanamine
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS744203-60-9
- Purity/Analytical Methods: >99.0%
744203-60-9 / 2-[2-(6-chlorohexoxy)ethoxy]ethanamine
Basic Information
CAS
744203-60-9
Multi CAS
No
Molecular Formula
C10H22CLNO2
Molecular Weight
223.740000
Exact Mass
223.133907
InChI
InChI=1S/C10H22ClNO2/c11-5-3-1-2-4-7-13-9-10-14-8-6-12/h1-10,12H2
InChIKey
ABAUJBZQEHFSKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.88
TPSA
44.48
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1
Consensus LogP
1.45
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.91
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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