CAS RN: 4839-46-7
3,3-Dimethylglutaric Acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-155213
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 10g, 5g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 4 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Shanghai | Inquiry |
4839-46-7 / 3,3-dimethylpentanedioic acid
Basic Information
CAS
4839-46-7
Multi CAS
Yes
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
InChI
InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey
DUHQIGLHYXLKAE-UHFFFAOYSA-N
Physical Properties
Melting Point
103.5 °C
Physical Description
White crystalline powder;
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.29
TPSA
74.6
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
0.4
Consensus LogP
0.73
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
