![CAS 959395-10-9 (2S,2′S-()-[N,N′-Bis(2-pyridylmethyl)]-2,2′-bipyrrolidinebis(acetonitrile)iron(II) hexafluoroantimonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/959395-10-9.gif)
CAS RN: 959395-10-9
(2S,2′S-()-[N,N′-Bis(2-pyridylmethyl)]-2,2′-bipyrrolidinebis(acetonitrile)iron(II) hexafluoroantimonate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260318 | 100mg | Out of stock | Inquiry |
- Product code: SSC-211667
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: 100g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
959395-10-9 / bis(acetonitrile);bis(hexafluoroantimony(1-));iron(2+);2-[[(2S)-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
Basic Information
CAS
959395-10-9
Multi CAS
Yes
Molecular Formula
C24H32F12FEN6SB2
Molecular Weight
931.900000
Exact Mass
931.992650
InChI
InChI=1S/C20H26N4.2C2H3N.12FH.Fe.2Sb/c1-3-11-21-17(7-1)15-23-13-5-9-19(23)20-10-6-14-24(20)16-18-8-2-4-12-22-18;2*1-2-3;;;;;;;;;;;;;;;/h1-4,7-8,11-12,19-20H,5-6,9-10,13-16H2;2*1H3;12*1H;;;/q;;;;;;;;;;;;;;;+2;2*+5/p-12/t19-,20-;;;;;;;;;;;;;;;;;/m0................./s1
InChIKey
XUNWHBGEOCZDBX-CGOGJHNFSA-B
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
142.72
TPSA
79.84
LogP / Solubility
WLOGP
8.44
MLOGP
7.52
XLogP3
8.44
Consensus LogP
8.13
Log S (ESOL)
-10.8
Class (ESOL)
Insoluble
Log S (Ali)
-13.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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