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CAS 1120-72-5 2-Methylcyclopentanone molecular structure lightbox
CAS RN: 1120-72-5

2-Methylcyclopentanone

  • Product code: SSC-012536
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1120-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

1120-72-5 / 2-methylcyclopentan-1-one

2-METHYLCYCLOPENTANONE | Cyclopentanone, 2-methyl- | alpha-Methylcyclopentanone

Standard CAS: 1120-72-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1120-72-5
Multi CAS
Yes
Molecular Formula
C6H10O
Molecular Weight
98.140000
Exact Mass
98.073165
SMILES
CC1CCCC1=O
InChI
InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
InChIKey
ZIXLDMFVRPABBX-UHFFFAOYSA-N
Synonyms
2-METHYLCYCLOPENTANONE Cyclopentanone, 2-methyl- alpha-Methylcyclopentanone HTH47R9TXS methyl cyclopentanone

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.83
H-bond acceptors
1
Molar refractivity
28.02
TPSA
17.07

LogP / Solubility

WLOGP
1.38
MLOGP
1.2
XLogP3
1
Consensus LogP
1.19
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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