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CAS 4437-51-8 3,4-Hexanedione molecular structure lightbox
CAS RN: 4437-51-8

3,4-Hexanedione

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251216 100g In stock Inquiry
Batchno.20250409 25g In stock Inquiry
Batchno.20260316 500g In stock Inquiry
Batchno.20250430 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250430 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Chongqing 8-10 business days Inquiry
  • Product code: SSC-152356
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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: ≥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 4437-51-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

4437-51-8 / hexane-3,4-dione

Standard CAS: 4437-51-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4437-51-8
Multi CAS
Yes
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
InChI
InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
InChIKey
KVFQMAZOBTXCAZ-UHFFFAOYSA-N

Physical Properties

Melting Point
-10 °C
Boiling Point
123.00 to 125.00 °C. @ 760.00 mm Hg
Density
0.941-0.950 (20°)
Physical Description
Liquid yellow oil
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
30.6
TPSA
34.14

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
0.5
Consensus LogP
0.75
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.75

Drug-likeness / Medicinal Chemistry

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

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