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CAS 2193057-39-3 1-amino-3,3-difluoro-N-methyl-cyclobutanecarboxamide hydrochloride molecular structure lightbox
CAS RN: 2193057-39-3

1-amino-3,3-difluoro-N-methyl-cyclobutanecarboxamide hydrochloride

  • Product code: SSC-105510
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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 2193057-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2193057-39-3 / 1-amino-3,3-difluoro-N-methylcyclobutane-1-carboxamide;hydrochloride

Standard CAS: 2193057-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2193057-39-3
Multi CAS
No
Molecular Formula
C6H11ClF2N2O
Molecular Weight
200.610000
Exact Mass
200.052797
SMILES
CNC(=O)C1(CC(C1)(F)F)N.Cl
InChI
InChI=1S/C6H10F2N2O.ClH/c1-10-4(11)5(9)2-6(7,8)3-5;/h2-3,9H2,1H3,(H,10,11);1H
InChIKey
LUBUWCXASDSZDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.41
TPSA
55.12

LogP / Solubility

WLOGP
0.28
MLOGP
0.25
XLogP3
0.28
Consensus LogP
0.27
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.74

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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