CAS RN: 1584544-42-2
1-(17-Hydroxy-3,6,9,12,15-pentaoxaheptadecyl)-1H-pyrrole-2,5-dione
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250723 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250505 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260217 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250930 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250115 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-066823
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1584544-42-2 / 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
Basic Information
CAS
1584544-42-2
Multi CAS
No
Molecular Formula
C16H27NO8
Molecular Weight
361.390000
Exact Mass
361.173667
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C16H27NO8/c18-4-6-22-8-10-24-12-14-25-13-11-23-9-7-21-5-3-17-15(19)1-2-16(17)20/h1-2,18H,3-14H2
InChIKey
LDOYEJPQJRWLDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.75
Rotatable bonds
17
H-bond acceptors
8
H-bond donors
1
Molar refractivity
87.04
TPSA
103.76
LogP / Solubility
WLOGP
-1.01
MLOGP
-0.87
XLogP3
-1.9
Consensus LogP
-1.26
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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