![CAS 1215627-14-7 [1-(2,6-Difluorophenyl)cyclobutyl]methylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB41873784.gif)
CAS RN: 1215627-14-7
[1-(2,6-Difluorophenyl)cyclobutyl]methylamine
- Product code: SSC-024101
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1215627-14-7 / [1-(2,6-difluorophenyl)cyclobutyl]methanamine
Basic Information
CAS
1215627-14-7
Multi CAS
No
Molecular Formula
C11H13F2N
Molecular Weight
197.220000
Exact Mass
197.101606
SMILES
C1CC(C1)(CN)C2=C(C=CC=C2F)F
InChI
InChI=1S/C11H13F2N/c12-8-3-1-4-9(13)10(8)11(7-14)5-2-6-11/h1,3-4H,2,5-7,14H2
InChIKey
NRRUEPBXSVGHKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.94
TPSA
26.02
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.26
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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