CAS RN: 13483-19-7
1,4-bis(chloromethoxy)butane
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.20250901 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS13483-19-7
- Purity/Analytical Methods: >99.0%
13483-19-7 / 1,4-bis(chloromethoxy)butane
Basic Information
CAS
13483-19-7
Multi CAS
No
Molecular Formula
C6H12Cl2O2
Molecular Weight
187.060000
Exact Mass
186.021435
SMILES
C(CCOCCl)COCCl
InChI
InChI=1S/C6H12Cl2O2/c7-5-9-3-1-2-4-10-6-8/h1-6H2
InChIKey
RRSXICBKOPODSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
42.58
TPSA
18.46
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.54
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)
-2.3
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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