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CAS 16112-10-0 1-ACETYL-1-CYCLOPENTENE molecular structure lightbox
CAS RN: 16112-10-0

1-ACETYL-1-CYCLOPENTENE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-068856
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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: 5g
  • 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 16112-10-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

16112-10-0 / 1-(cyclopenten-1-yl)ethanone

Standard CAS: 16112-10-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16112-10-0
Multi CAS
No
Molecular Formula
C7H10O
Molecular Weight
110.150000
Exact Mass
110.073165
SMILES
CC(=O)C1=CCCC1
InChI
InChI=1S/C7H10O/c1-6(8)7-4-2-3-5-7/h4H,2-3,5H2,1H3
InChIKey
SLNPSLWTEUJUGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
32.61
TPSA
17.07

LogP / Solubility

WLOGP
1.69
MLOGP
1.47
XLogP3
1.3
Consensus LogP
1.49
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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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