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: ＞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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2280998-74-3 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2280998-74-3
Multi CAS
No
Molecular Formula
C24H48O13
Molecular Weight
544.600000
Exact Mass
544.309492
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C24H48O13/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-24(25)26/h2-23H2,1H3,(H,25,26)
InChIKey
XTRVAOVFCQZNBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.96
Rotatable bonds
33
H-bond acceptors
12
H-bond donors
1
Molar refractivity
132.32
TPSA
138.83
LogP / Solubility
WLOGP
0.27
MLOGP
0.28
XLogP3
-1.9
Consensus LogP
-0.45
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.85
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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![CAS 2283330-44-7 Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4S,4’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2283330-44-7.gif)
