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: 5g, 10g, 25g, 100g, 500g
- Available purity: 97%
- Inventory rows with stock: 3
- 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 |
|---|---|---|---|---|
| 5g | 97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | 97% | 5 In Stock | Shanghai | Inquiry |
| 25g | 97% | 5 In Stock | Beijing | Inquiry |
| 100g | 97% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | 97% | 0 Out of Stock | Shenzhen | Inquiry |
498-21-5 / 2-methylbutanedioic acid
Basic Information
CAS
498-21-5
Multi CAS
Yes
Molecular Formula
C5H8O4
Molecular Weight
132.110000
Exact Mass
132.042259
InChI
InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChIKey
WXUAQHNMJWJLTG-UHFFFAOYSA-N
Physical Properties
Melting Point
232 to 234 °F (NTP, 1992)
Boiling Point
Decomposes (NTP, 1992)
Density
1.4105 (NTP, 1992) - Denser than water; will sink
Physical Description
Methyl succinic acid appears as white or yellowish crystals or beige powder. (NTP, 1992)
White, yellowish, or beige solid; [CAMEO] Beige crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.05
TPSA
74.6
LogP / Solubility
WLOGP
0.18
MLOGP
0.15
XLogP3
-0.2
Consensus LogP
0.04
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
