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CAS 4477-17-2 CYCLOPENTANONE-D8 molecular structure lightbox
CAS RN: 4477-17-2

CYCLOPENTANONE-D8

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS4477-17-2
  • Purity/Analytical Methods: >99.0%
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4477-17-2 / cyclopentanone

Standard CAS: 4477-17-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4477-17-2
Multi CAS
Yes
Molecular Formula
C5H8O
Molecular Weight
84.120000
Exact Mass
84.057515
InChI
InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2/i1D2,2D2,3D2,4D2
InChIKey
BGTOWKSIORTVQH-SVYQBANQSA-N

Physical Properties

Melting Point
-60.3 °F (NTP, 1992) -51.3 °C -58 °C -51 °C
Boiling Point
267.17 °F at 760 mmHg (NTP, 1992) 130.6 °C AT 760 MM HG 130.00 to 131.00 °C. @ 760.00 mm Hg 131 °C
Density
0.94869 at 68 °F (NTP, 1992) - Less dense than water; will float 0.94869 @ 20 °C/4 °C Relative density (water = 1): 0.95 0.950-0.960
Physical Description
Cyclopentanone appears as a clear colorless liquid with a petroleum-like odor. Flash point 87 °F. Less dense than water and insoluble in water. Vapors heavier than air. Liquid Water-white liquid with distinctive odor like peppermint; [Hawley] Colorless clear liquid; Polymerizes easily in presence of acids; [ICSC] CLEAR COLOURLESS LIQUID. liquid; agreeable odour somewhat like peppermint
Appearance
WATER-WHITE, MOBILE LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.8
H-bond acceptors
1
Molar refractivity
23.47
TPSA
17.07

LogP / Solubility

WLOGP
1.13
MLOGP
0.98
XLogP3
0.4
Consensus LogP
0.84
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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