CAS RN: 1334177-96-6
SPDP-PEG8-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.20251008 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-040145
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: ＞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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
1334177-96-6 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1334177-96-6
Multi CAS
No
Molecular Formula
C27H46N2O11S2
Molecular Weight
638.800000
Exact Mass
638.254303
SMILES
C1=CC=NC(=C1)SSCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C27H46N2O11S2/c30-25(5-24-41-42-26-3-1-2-6-29-26)28-7-9-34-11-13-36-15-17-38-19-21-40-23-22-39-20-18-37-16-14-35-12-10-33-8-4-27(31)32/h1-3,6H,4-5,7-24H2,(H,28,30)(H,31,32)
InChIKey
DKWMKNTUPXBDLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.74
Rotatable bonds
32
H-bond acceptors
13
H-bond donors
2
Molar refractivity
158.98
TPSA
153.13
LogP / Solubility
WLOGP
1.94
MLOGP
1.76
XLogP3
-0.7
Consensus LogP
1
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-5.24
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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