CAS RN: 1131-15-3
Phenylsuccinic Anhydride
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250316 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260108 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251223 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260221 | 500g | Out of stock | Inquiry | |
| Batchno.20250906 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTP2257
- Purity/Analytical Methods: >98.0%(GC)(T)
1131-15-3 / 3-phenyloxolane-2,5-dione
Phenylsuccinic anhydride | RefChem:861827 | 808-202-8
Basic Information
CAS
1131-15-3
Multi CAS
No
Molecular Formula
C10H8O3
Molecular Weight
176.170000
Exact Mass
176.047344
SMILES
C1C(C(=O)OC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
HDFKMLFDDYWABF-UHFFFAOYSA-N
Synonyms
Phenylsuccinic anhydride
RefChem:861827
808-202-8
3-phenyldihydrofuran-2,5-dione
3-phenyloxolane-2,5-dione
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.9
TPSA
43.37
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.2
Consensus LogP
1.18
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.91
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
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
