CAS RN: 157230-68-7
DIETHYL (2-METHYLPYRROLIDIN-2-YL)PHOSPHATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250427 | 250mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS157230-68-7
- Purity/Analytical Methods: >99.0%
157230-68-7 / 2-diethoxyphosphoryl-2-methylpyrrolidine
Basic Information
CAS
157230-68-7
Multi CAS
No
Molecular Formula
C9H20NO3P
Molecular Weight
221.230000
Exact Mass
221.118081
SMILES
CCOP(=O)(C1(CCCN1)C)OCC
InChI
InChI=1S/C9H20NO3P/c1-4-12-14(11,13-5-2)9(3)7-6-8-10-9/h10H,4-8H2,1-3H3
InChIKey
UJLWZCRCTUPTKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.5
TPSA
47.56
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
0.6
Consensus LogP
1.67
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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