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 | Shanghai | Inquiry |
2228857-35-8 / methyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2228857-35-8
Multi CAS
No
Molecular Formula
C12H24O7
Molecular Weight
280.310000
Exact Mass
280.152203
SMILES
COC(=O)CCOCCOCCOCCOCCO
InChI
InChI=1S/C12H24O7/c1-15-12(14)2-4-16-6-8-18-10-11-19-9-7-17-5-3-13/h13H,2-11H2,1H3
InChIKey
ABLVCDPHCRXTRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
1
Molar refractivity
66.99
TPSA
83.45
LogP / Solubility
WLOGP
-0.39
MLOGP
-0.34
XLogP3
-1.2
Consensus LogP
-0.64
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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hydrochloride
- CAS RN: 2228882-50-4
- Product Code: starshine_CAS2228882-50-4
- Purity/Analytical method: >99.0%
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