![CAS 428514-91-4 (R)-2-[(Diphenylphosphino)methyl]pyrrolidine, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/428514-91-4.gif)
CAS RN: 428514-91-4
(R)-2-[(Diphenylphosphino)methyl]pyrrolidine, min. 97%
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250902 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS428514-91-4
- Purity/Analytical Methods: >99.0%
428514-91-4 / diphenyl(pyrrolidin-2-ylmethyl)phosphane
Basic Information
CAS
428514-91-4
Multi CAS
Yes
Molecular Formula
C17H20NP
Molecular Weight
269.320000
Exact Mass
269.133337
InChI
InChI=1S/C17H20NP/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2
InChIKey
IWRBGJKCDORZHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
84.96
TPSA
12.03
LogP / Solubility
WLOGP
2.87
MLOGP
2.54
XLogP3
3.2
Consensus LogP
2.87
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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