CAS RN: 2055198-02-0
3,4-Dibromo-Mal-PEG8-t-butyl ester
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.20250625 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-096681
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
- 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 |
|---|---|---|---|---|
| 0.1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
2055198-02-0 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(3,4-dibromo-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2055198-02-0
Multi CAS
No
Molecular Formula
C27H45Br2NO12
Molecular Weight
735.500000
Exact Mass
735.128800
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C(=C(C1=O)Br)Br
InChI
InChI=1S/C27H45Br2NO12/c1-27(2,3)42-22(31)4-6-34-8-10-36-12-14-38-16-18-40-20-21-41-19-17-39-15-13-37-11-9-35-7-5-30-25(32)23(28)24(29)26(30)33/h4-21H2,1-3H3
InChIKey
NRCHSTUDEZBNCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
0.81
Rotatable bonds
27
H-bond acceptors
12
Molar refractivity
158.61
TPSA
137.52
LogP / Solubility
WLOGP
2.22
MLOGP
2.02
XLogP3
0.9
Consensus LogP
1.71
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.52
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)
-5.63
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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