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CAS 3859-41-4 1,3-Cyclopentanedione molecular structure lightbox
CAS RN: 3859-41-4

1,3-Cyclopentanedione

  • Product code: SSC-146230
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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: >97%
  • 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 3859-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
25g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Shenzhen Inquiry

3859-41-4 / cyclopentane-1,3-dione

Standard CAS: 3859-41-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3859-41-4
Multi CAS
Yes
Molecular Formula
C5H6O2
Molecular Weight
98.100000
Exact Mass
98.036779
InChI
InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKey
LOGSONSNCYTHPS-UHFFFAOYSA-N

Physical Properties

Physical Description
Beige to light purple powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.6
H-bond acceptors
2
Molar refractivity
23.86
TPSA
34.14

LogP / Solubility

WLOGP
0.31
MLOGP
0.26
XLogP3
-0.4
Consensus LogP
0.06
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very 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)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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