CAS RN: 581065-97-6
SPDP-PEG4-acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-166332
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: 1g
- Available purity: ＞97%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
581065-97-6 / 3-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
581065-97-6
Multi CAS
No
Molecular Formula
C19H30N2O7S2
Molecular Weight
462.600000
Exact Mass
462.149444
InChI
InChI=1S/C19H30N2O7S2/c22-17(5-16-29-30-18-3-1-2-6-21-18)20-7-9-26-11-13-28-15-14-27-12-10-25-8-4-19(23)24/h1-3,6H,4-5,7-16H2,(H,20,22)(H,23,24)
InChIKey
IJDPYTZOKIVWAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
20
H-bond acceptors
9
H-bond donors
2
Molar refractivity
115.71
TPSA
116.21
LogP / Solubility
WLOGP
1.87
MLOGP
1.68
XLogP3
-0.1
Consensus LogP
1.15
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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