CAS RN: 58239-72-8
Isooctadecenylsuccinic Anhydride (mixture of branched chain isomers)
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.20250313 | 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTI0237
- Purity/Analytical Methods: >90.0%(T)
58239-72-8 / 3-(16-methylheptadec-10-enyl)oxolane-2,5-dione
Basic Information
CAS
58239-72-8
Multi CAS
Yes
Molecular Formula
C22H38O3
Molecular Weight
350.500000
Exact Mass
350.282095
InChI
InChI=1S/C22H38O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h6,8,19-20H,3-5,7,9-18H2,1-2H3
InChIKey
SJSHEXCFGWSYAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.82
Rotatable bonds
15
H-bond acceptors
3
Molar refractivity
103.21
TPSA
43.37
LogP / Solubility
WLOGP
6.36
MLOGP
5.61
XLogP3
7.9
Consensus LogP
6.62
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
