CAS RN: 2177-22-2
3-Ethyl-3-(chloromethyl)-oxetane
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.20260501 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2177-22-2
- Purity/Analytical Methods: >99.0%
2177-22-2 / 3-(chloromethyl)-3-ethyloxetane
Basic Information
CAS
2177-22-2
Multi CAS
No
Molecular Formula
C6H11ClO
Molecular Weight
134.600000
Exact Mass
134.049843
SMILES
CCC1(COC1)CCl
InChI
InChI=1S/C6H11ClO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3
InChIKey
UKLWXKWTXHHMFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
34.26
TPSA
9.23
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.37
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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