CAS RN: 3002-23-1
6-Methyl-2,4-heptanedione
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250709 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251001 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20250414 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260214 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260412 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-133580
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: 5ml
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5ml | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
3002-23-1 / 6-methylheptane-2,4-dione
Basic Information
CAS
3002-23-1
Multi CAS
Yes
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
InChI
InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
InChIKey
IGMOYJSFRIASIE-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
39.76
TPSA
34.14
LogP / Solubility
WLOGP
1.58
MLOGP
1.38
XLogP3
1.1
Consensus LogP
1.35
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
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)
-2.47
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
