[email protected]
CAS 159911-00-9 3-azabicyclo[3.1.0]hexan-2-one molecular structure lightbox
CAS RN: 159911-00-9

3-azabicyclo[3.1.0]hexan-2-one

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250218 100mg In stock Shanghai Inquiry
Batchno.20260303 100mg / 500mg Out of stock 8-10 business days Inquiry
Batchno.20260510 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260402 250mg In stock Shanghai Inquiry
Batchno.20260522 5g In stock Shanghai Inquiry
  • Product code: SSC-067892
GET A QUOTE
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: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 159911-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

159911-00-9 / 3-azabicyclo[3.1.0]hexan-2-one

Standard CAS: 159911-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159911-00-9
Multi CAS
No
Molecular Formula
C5H7NO
Molecular Weight
97.120000
Exact Mass
97.052764
SMILES
C1C2C1C(=O)NC2
InChI
InChI=1S/C5H7NO/c7-5-4-1-3(4)2-6-5/h3-4H,1-2H2,(H,6,7)
InChIKey
KHLMVJUFZYQPEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.61
TPSA
29.1

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.23
XLogP3
-0.3
Consensus LogP
-0.26
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.09
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)
-3.49

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us