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CAS 765-70-8 3-Methyl-1,2-cyclopentanedione molecular structure lightbox
CAS RN: 765-70-8

3-Methyl-1,2-cyclopentanedione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Guangdong, Chongqing, Shandong Inquiry
  • Product code: SSC-185916
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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: 500g
  • 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 765-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shanghai Inquiry

765-70-8 / 2-hydroxy-3-methylcyclopent-2-en-1-one

Standard CAS: 765-70-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
765-70-8
Multi CAS
Yes
Molecular Formula
C6H8O2
Molecular Weight
112.130000
Exact Mass
112.052429
InChI
InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3
InChIKey
CFAKWWQIUFSQFU-UHFFFAOYSA-N

Physical Properties

Physical Description
Pellets or Large Crystals; Liquid white, crystalline powder with a nutty odour, maple-liquorice aroma in dilute solution
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
29.57
TPSA
37.3

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
0.3
Consensus LogP
0.84
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-2.57

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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