CAS RN: 1250444-03-1
(3,3-Difluorocyclobutyl)-N-MethylMethanaMine 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.20250331 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-029517
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1250444-03-1 / 1-(3,3-difluorocyclobutyl)-N-methylmethanamine;hydrochloride
Basic Information
CAS
1250444-03-1
Multi CAS
No
Molecular Formula
C6H12ClF2N
Molecular Weight
171.610000
Exact Mass
171.062633
SMILES
CNCC1CC(C1)(F)F.Cl
InChI
InChI=1S/C6H11F2N.ClH/c1-9-4-5-2-6(7,8)3-5;/h5,9H,2-4H2,1H3;1H
InChIKey
KKUOQRRUERFEIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.85
TPSA
12.03
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.58
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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