CAS RN: 1314743-62-8
1-(2,4-Difluorophenyl)cyclobutanamine
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-038438
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1314743-62-8 / 1-(2,4-difluorophenyl)cyclobutan-1-amine
Basic Information
CAS
1314743-62-8
Multi CAS
No
Molecular Formula
C10H11F2N
Molecular Weight
183.200000
Exact Mass
183.085956
SMILES
C1CC(C1)(C2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C10H11F2N/c11-7-2-3-8(9(12)6-7)10(13)4-1-5-10/h2-3,6H,1,4-5,13H2
InChIKey
LHOZEQMKAXACTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.07
TPSA
26.02
LogP / Solubility
WLOGP
2.3
MLOGP
2.02
XLogP3
1.7
Consensus LogP
2.01
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.2
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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