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CAS 1020732-20-0 1-Cyclobutylbutane-1,3-dione molecular structure lightbox
CAS RN: 1020732-20-0

1-Cyclobutylbutane-1,3-dione

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003326
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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: 1g
  • Available purity: ≥95%
  • 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 1020732-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1020732-20-0 / 1-cyclobutylbutane-1,3-dione

1-cyclobutylbutane-1,3-dione | MFCD11553136 | 1-Cyclobutyl-1,3-butanedione

Standard CAS: 1020732-20-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1020732-20-0
Multi CAS
Yes
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
SMILES
CC(=O)CC(=O)C1CCC1
InChI
InChI=1S/C8H12O2/c1-6(9)5-8(10)7-3-2-4-7/h7H,2-5H2,1H3
InChIKey
HKRKQPSKAPDZLT-UHFFFAOYSA-N
Synonyms
1-cyclobutylbutane-1,3-dione MFCD11553136 1-Cyclobutyl-1,3-butanedione SCHEMBL394423 1-Cyclobutyl-butane-1,3-dione

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
37.65
TPSA
34.14

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.8
Consensus LogP
1.1
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-2.63

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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