CAS RN: 856372-61-7
2-((6-Chlorohexyl)oxy)ethan-1-ol
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.20250610 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS856372-61-7
- Purity/Analytical Methods: >99.0%
856372-61-7 / 2-(6-chlorohexoxy)ethanol
Basic Information
CAS
856372-61-7
Multi CAS
No
Molecular Formula
C8H17CLO2
Molecular Weight
180.670000
Exact Mass
180.091708
InChI
InChI=1S/C8H17ClO2/c9-5-3-1-2-4-7-11-8-6-10/h10H,1-8H2
InChIKey
OXJBIKIMPIFIMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.09
TPSA
29.46
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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)
-2.55
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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