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CAS 1270577-37-1 1-(4-(Trifluoromethyl)phenyl)cyclobutanamine molecular structure lightbox
CAS RN: 1270577-37-1

1-(4-(Trifluoromethyl)phenyl)cyclobutanamine

  • Product code: SSC-034577
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1270577-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1270577-37-1 / 1-[4-(trifluoromethyl)phenyl]cyclobutan-1-amine

Standard CAS: 1270577-37-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1270577-37-1
Multi CAS
No
Molecular Formula
C11H12F3N
Molecular Weight
215.210000
Exact Mass
215.092184
SMILES
C1CC(C1)(C2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-4-2-8(3-5-9)10(15)6-1-7-10/h2-5H,1,6-7,15H2
InChIKey
XEYCCHKMMMJOHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.16
TPSA
26.02

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
2.4
Consensus LogP
2.71
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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