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 |
1872433-73-2 / 1-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]-2-methoxyethane
Basic Information
CAS
1872433-73-2
Multi CAS
No
Molecular Formula
C13H29O7P
Molecular Weight
328.340000
Exact Mass
328.165090
SMILES
CCOP(=O)(CCOCCOCCOCCOC)OCC
InChI
InChI=1S/C13H29O7P/c1-4-19-21(14,20-5-2)13-12-18-11-10-17-9-8-16-7-6-15-3/h4-13H2,1-3H3
InChIKey
IJIFYTYZSWFMQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
7
Molar refractivity
80.06
TPSA
72.45
LogP / Solubility
WLOGP
1.95
MLOGP
1.73
XLogP3
-0.4
Consensus LogP
1.09
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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