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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
2523025-40-1 / 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[2-[bis[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]ethyl]amino]ethyl]propanamide
Basic Information
CAS
2523025-40-1
Multi CAS
No
Molecular Formula
C33H69N7O12
Molecular Weight
755.900000
Exact Mass
755.500421
SMILES
C(COCCOCCOCCN)C(=O)NCCN(CCNC(=O)CCOCCOCCOCCN)CCNC(=O)CCOCCOCCOCCN
InChI
InChI=1S/C33H69N7O12/c34-4-16-47-22-28-50-25-19-44-13-1-31(41)37-7-10-40(11-8-38-32(42)2-14-45-20-26-51-29-23-48-17-5-35)12-9-39-33(43)3-15-46-21-27-52-30-24-49-18-6-36/h1-30,34-36H2,(H,37,41)(H,38,42)(H,39,43)
InChIKey
IQSJMACFJXJKGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Fraction Csp3
0.91
Rotatable bonds
42
H-bond acceptors
16
H-bond donors
6
Molar refractivity
193.85
TPSA
251.67
LogP / Solubility
WLOGP
-3.17
MLOGP
-2.72
XLogP3
-6.1
Consensus LogP
-4
Log S (ESOL)
0.24
Class (ESOL)
Highly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.58
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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