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CAS 1603082-41-2 2-(Difluoromethoxy)cyclopentanamine molecular structure lightbox
CAS RN: 1603082-41-2

2-(Difluoromethoxy)cyclopentanamine

  • Product code: SSC-068302
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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 1603082-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1603082-41-2 / 2-(difluoromethoxy)cyclopentan-1-amine

Standard CAS: 1603082-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1603082-41-2
Multi CAS
No
Molecular Formula
C6H11F2NO
Molecular Weight
151.150000
Exact Mass
151.080870
SMILES
C1CC(C(C1)OC(F)F)N
InChI
InChI=1S/C6H11F2NO/c7-6(8)10-5-3-1-2-4(5)9/h4-6H,1-3,9H2
InChIKey
HDAQBVUGOMOFIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.7
TPSA
35.25

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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