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CAS 81303-69-7 CYCLOPENTANECARBOXIMIDAMIDE molecular structure lightbox
CAS RN: 81303-69-7

CYCLOPENTANECARBOXIMIDAMIDE

  • Product code: SSC-189815
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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 81303-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

81303-69-7 / cyclopentanecarboximidamide

Standard CAS: 81303-69-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81303-69-7
Multi CAS
Yes
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
InChI
InChI=1S/C6H12N2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H3,7,8)
InChIKey
RMALUJUDHRIMQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
33.87
TPSA
49.87

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
0.8
Consensus LogP
0.96
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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