CAS RN: 2387417-86-7
Pentanoic acid, 2-propyl-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251215 | 10g | Out of stock | Inquiry | |
| Batchno.20260104 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260128 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250912 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS2387417-86-7
- Purity/Analytical Methods: >99.0%
2387417-86-7 / (1,3-dioxoisoindol-2-yl) 2-propylpentanoate
Basic Information
CAS
2387417-86-7
Multi CAS
No
Molecular Formula
C16H19NO4
Molecular Weight
289.330000
Exact Mass
289.131408
SMILES
CCCC(CCC)C(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C16H19NO4/c1-3-7-11(8-4-2)16(20)21-17-14(18)12-9-5-6-10-13(12)15(17)19/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKey
HTEXQWDLDIPUSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
76.34
TPSA
63.68
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
3.8
Consensus LogP
3.12
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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