CAS RN: 2227206-51-9
3-(difluoromethyl)-3-methylazetidine hydrochloride
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.20250108 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2227206-51-9
- Purity/Analytical Methods: >99.0%
2227206-51-9 / 3-(difluoromethyl)-3-methylazetidine;hydrochloride
Basic Information
CAS
2227206-51-9
Multi CAS
No
Molecular Formula
C5H10ClF2N
Molecular Weight
157.590000
Exact Mass
157.046983
SMILES
CC1(CNC1)C(F)F.Cl
InChI
InChI=1S/C5H9F2N.ClH/c1-5(4(6)7)2-8-3-5;/h4,8H,2-3H2,1H3;1H
InChIKey
MRVTVHXUDWSYAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.23
TPSA
12.03
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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