![CAS 1446282-24-1 [10-(Diethoxy-phosphoryl)-decyl]-phosphonic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446282-24-1.gif)
CAS RN: 1446282-24-1
[10-(Diethoxy-phosphoryl)-decyl]-phosphonic acid
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.20250803 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1446282-24-1
- Purity/Analytical Methods: >99.0%
1446282-24-1 / 10-diethoxyphosphoryldecylphosphonic acid
Basic Information
CAS
1446282-24-1
Multi CAS
No
Molecular Formula
C14H32O6P2
Molecular Weight
358.350000
Exact Mass
358.167413
SMILES
CCOP(=O)(CCCCCCCCCCP(=O)(O)O)OCC
InChI
InChI=1S/C14H32O6P2/c1-3-19-22(18,20-4-2)14-12-10-8-6-5-7-9-11-13-21(15,16)17/h3-14H2,1-2H3,(H2,15,16,17)
InChIKey
QSNWJNNXAGWSQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.57
TPSA
93.06
LogP / Solubility
WLOGP
4.55
MLOGP
4.02
XLogP3
2
Consensus LogP
3.52
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.57
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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