![CAS 60261-46-3 (S)-2-[(Diphenylphosphino)methyl]pyrrolidine, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60261-46-3.gif)
CAS RN: 60261-46-3
(S)-2-[(Diphenylphosphino)methyl]pyrrolidine, min. 97%
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-168829
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
60261-46-3 / diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane
Basic Information
CAS
60261-46-3
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/t15-/m0/s1
InChIKey
IWRBGJKCDORZHK-HNNXBMFYSA-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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