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CAS 1363382-43-7 1-(Boc-amino)-3,3-difluorocyclobutane-1-methylamine molecular structure lightbox
CAS RN: 1363382-43-7

1-(Boc-amino)-3,3-difluorocyclobutane-1-methylamine

  • Product code: SSC-045376
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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: 0.25g
  • 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 1363382-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1363382-43-7 / tert-butyl N-[1-(aminomethyl)-3,3-difluorocyclobutyl]carbamate

Standard CAS: 1363382-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363382-43-7
Multi CAS
No
Molecular Formula
C10H18F2N2O2
Molecular Weight
236.260000
Exact Mass
236.133634
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)(F)F)CN
InChI
InChI=1S/C10H18F2N2O2/c1-8(2,3)16-7(15)14-9(6-13)4-10(11,12)5-9/h4-6,13H2,1-3H3,(H,14,15)
InChIKey
CUWZDIJQVDKWCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.34
TPSA
64.35

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1
Consensus LogP
1.36
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-3

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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