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, 10g, 500g
- 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.
924-88-9 / dipropan-2-yl butanedioate
Basic Information
CAS
924-88-9
Multi CAS
Yes
Molecular Formula
C10H18O4
Molecular Weight
202.250000
Exact Mass
202.120509
InChI
InChI=1S/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
YPLYFEUBZLLLIY-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
51.69
TPSA
52.6
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.5
Consensus LogP
1.55
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
