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CAS 196488-92-3 Bicyclo[3.1.0]hexan-2-one, (1S,5R)- molecular structure lightbox
CAS RN: 196488-92-3

Bicyclo[3.1.0]hexan-2-one, (1S,5R)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 100mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-092762
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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: ≥98%
  • 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 196488-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

196488-92-3 / (1S,5R)-bicyclo[3.1.0]hexan-2-one

Standard CAS: 196488-92-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
196488-92-3
Multi CAS
No
Molecular Formula
C6H8O
Molecular Weight
96.130000
Exact Mass
96.057515
SMILES
C1CC(=O)[C@@H]2[C@H]1C2
InChI
InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m1/s1
InChIKey
HFCMQKFXCMZZMZ-UHNVWZDZSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.83
H-bond acceptors
1
Molar refractivity
25.84
TPSA
17.07

LogP / Solubility

WLOGP
0.99
MLOGP
0.85
XLogP3
0.5
Consensus LogP
0.78
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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