CAS RN: 2009-84-9
2-(6-CHLOROHEXYLOXY)TETRAHYDRO-2H-PYRAN&
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250214 | 100g | Out of stock | Inquiry | ||
| Batchno.20250211 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250730 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250701 | 25g | Out of stock | Inquiry | ||
| Batchno.20260409 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2009-84-9
- Purity/Analytical Methods: >99.0%
2009-84-9 / 2-(6-chlorohexoxy)oxane
Basic Information
CAS
2009-84-9
Multi CAS
No
Molecular Formula
C11H21ClO2
Molecular Weight
220.730000
Exact Mass
220.123008
SMILES
C1CCOC(C1)OCCCCCCCl
InChI
InChI=1S/C11H21ClO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h11H,1-10H2
InChIKey
XOLOZSPDGPUSFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
58.73
TPSA
18.46
LogP / Solubility
WLOGP
3.33
MLOGP
2.93
XLogP3
3
Consensus LogP
3.09
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly 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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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