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CAS 5220-49-5 3-Amino-2-cyclohexen-1-one molecular structure lightbox
CAS RN: 5220-49-5

3-Amino-2-cyclohexen-1-one

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260526 100g In stock Inquiry
Batchno.20260227 10g In stock Inquiry
Batchno.20260611 1g In stock Inquiry
Batchno.20250317 25g In stock Inquiry
Batchno.20260507 5g In stock Inquiry
  • Product code: SSC-159296
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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: 10g, 25g, 100g, 500g
  • Available purity: ＞97%
  • 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 5220-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry
500g ＞97% 0 Out of Stock Shenzhen Inquiry

5220-49-5 / 3-aminocyclohex-2-en-1-one

Standard CAS: 5220-49-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5220-49-5
Multi CAS
Yes
Molecular Formula
C6H9NO
Molecular Weight
111.140000
Exact Mass
111.068414
InChI
InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2
InChIKey
ZZMRPOAHZITKBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.13
TPSA
43.09

LogP / Solubility

WLOGP
0.58
MLOGP
0.5
XLogP3
-0.1
Consensus LogP
0.33
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very 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)
-2.98

Drug-likeness / Medicinal Chemistry

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

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