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CAS 21835-01-8 3-Ethyl-2-hydroxy-2-cyclopenten-1-one molecular structure lightbox
CAS RN: 21835-01-8

3-Ethyl-2-hydroxy-2-cyclopenten-1-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-105262
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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: 100g
  • Available purity: ≥97%
  • 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 21835-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

21835-01-8 / 3-ethyl-2-hydroxycyclopent-2-en-1-one

Standard CAS: 21835-01-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21835-01-8
Multi CAS
No
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
SMILES
CCC1=C(C(=O)CC1)O
InChI
InChI=1S/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3
InChIKey
JHWFWLUAUPZUCP-UHFFFAOYSA-N

Physical Properties

Melting Point
38 - 40 °C
Boiling Point
78.00 to 80.00 °C. @ 4.00 mm Hg
Density
1.060-1.066
Physical Description
Solid white crystalline powder with a maple-, caramel-, smoky-, coffee-like odour
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.19
TPSA
37.3

LogP / Solubility

WLOGP
1.57
MLOGP
1.37
XLogP3
0.7
Consensus LogP
1.21
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.73
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)
-2.37

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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