[email protected]
CAS 7424-54-6 3,5-Heptanedione molecular structure lightbox
CAS RN: 7424-54-6

3,5-Heptanedione

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250326 100g Out of stock Inquiry
Batchno.20250916 1g In stock Inquiry
Batchno.20260308 25g In stock Inquiry
Batchno.20260513 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 100g In stock Shanghai Inquiry
Batchno.20251030 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
Batchno.20260413 25g In stock Shanghai Inquiry
Batchno.20251026 500g In stock Shanghai Inquiry
Batchno.20260615 5g In stock Shanghai Inquiry
  • Product code: SSC-183695
GET A QUOTE
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
Request Bulk Quote

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 7424-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

7424-54-6 / heptane-3,5-dione

Standard CAS: 7424-54-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7424-54-6
Multi CAS
Yes
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
InChI
InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3
InChIKey
DGCTVLNZTFDPDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
35.21
TPSA
34.14

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.7
Consensus LogP
1.07
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.55

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

Customers Also Viewed

Get In Touch

Contact Us