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: 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 2
- 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.
505-48-6 / octanedioic acid
Basic Information
CAS
505-48-6
Multi CAS
Yes
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
InChI
InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKey
TYFQFVWCELRYAO-UHFFFAOYSA-N
Physical Properties
Melting Point
144 °C
Boiling Point
345.50 °C. @ 760.00 mm Hg
Physical Description
Other Solid
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.97
TPSA
74.6
LogP / Solubility
WLOGP
1.5
MLOGP
1.31
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.72
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
