CAS RN: 1117-74-4
4-OXO-HEXANOIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250713 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-012283
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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1117-74-4 / 4-oxohexanoic acid
4-oxohexanoic acid | DTXSID20912252 | RefChem:526207
Basic Information
CAS
1117-74-4
Multi CAS
No
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
SMILES
CCC(=O)CCC(=O)O
InChI
InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
CLJBDOUIEHLLEN-UHFFFAOYSA-N
Synonyms
4-oxohexanoic acid
DTXSID20912252
RefChem:526207
DTXCID001341275
620-812-4
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.17
TPSA
54.37
LogP / Solubility
WLOGP
0.83
MLOGP
0.72
Consensus LogP
0.52
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
