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: 5g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
10419-80-4 / 1-(diethoxyphosphorylmethoxy)ethane
Diethyl (ethoxymethyl)phosphonate | DTXSID60520370 | RefChem:337704
Basic Information
CAS
10419-80-4
Multi CAS
No
Molecular Formula
C7H17O4P
Molecular Weight
196.180000
Exact Mass
196.086446
SMILES
CCOCP(=O)(OCC)OCC
InChI
InChI=1S/C7H17O4P/c1-4-9-7-12(8,10-5-2)11-6-3/h4-7H2,1-3H3
InChIKey
PELDURRTQRGRMV-UHFFFAOYSA-N
Synonyms
Diethyl (ethoxymethyl)phosphonate
DTXSID60520370
RefChem:337704
DTXCID60471176
811-813-2
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
47.35
TPSA
44.76
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
0.5
Consensus LogP
1.58
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly 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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
