[email protected]
CAS 1120-73-6 2-METHYL-2-CYCLOPENTEN-1-ONE molecular structure lightbox
CAS RN: 1120-73-6

2-METHYL-2-CYCLOPENTEN-1-ONE

  • Product code: SSC-012537
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: 5g
  • Available purity: ≥95%
  • 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 1120-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1120-73-6 / 2-methylcyclopent-2-en-1-one

2-METHYL-2-CYCLOPENTEN-1-ONE | 2-Methyl-2-cyclopentenone | 2-methylcyclopent-2-en-1-one

Standard CAS: 1120-73-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1120-73-6
Multi CAS
No
Molecular Formula
C6H8O
Molecular Weight
96.130000
Exact Mass
96.057515
SMILES
CC1=CCCC1=O
InChI
InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
InChIKey
ZSBWUNDRDHVNJL-UHFFFAOYSA-N
Synonyms
2-METHYL-2-CYCLOPENTEN-1-ONE 2-Methyl-2-cyclopentenone 2-methylcyclopent-2-en-1-one 2-Cyclopenten-1-one, 2-methyl- N5S7BLT3Q9

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
28
TPSA
17.07

LogP / Solubility

WLOGP
1.3
MLOGP
1.13
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-2.39

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

Customers Also Viewed

Get In Touch

Contact Us