CAS RN: 1052137-31-1
diethyl 9-ethoxynonylphosphonate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250117 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1052137-31-1
- Purity/Analytical Methods: >99.0%
1052137-31-1 / 1-diethoxyphosphoryl-9-ethoxynonane
diethyl 9-ethoxynonylphosphonate | 1-diethoxyphosphoryl-9-ethoxynonane | DIETHYL (9-ETHOXYNONYL)PHOSPHONATE
Basic Information
CAS
1052137-31-1
Multi CAS
No
Molecular Formula
C15H33O4P
Molecular Weight
308.390000
Exact Mass
308.211647
SMILES
CCOCCCCCCCCCP(=O)(OCC)OCC
InChI
InChI=1S/C15H33O4P/c1-4-17-14-12-10-8-7-9-11-13-15-20(16,18-5-2)19-6-3/h4-15H2,1-3H3
InChIKey
BBSXVAKXJRIZTA-UHFFFAOYSA-N
Synonyms
diethyl 9-ethoxynonylphosphonate
1-diethoxyphosphoryl-9-ethoxynonane
DIETHYL (9-ETHOXYNONYL)PHOSPHONATE
diethyl9-ethoxynonylphosphonate
CS-B0287
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
4
Molar refractivity
84.54
TPSA
44.76
LogP / Solubility
WLOGP
5.02
MLOGP
4.43
XLogP3
3.5
Consensus LogP
4.32
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04
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
1.5
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