![CAS 649559-66-0 (R)-1-[(S)-2-[DI(2-FURYL)PHOSPHINO]FERROCENYL]ETHYLDI(3,5-XYLYL)PHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/649559-66-0.gif)
CAS RN: 649559-66-0
(R)-1-[(S)-2-[DI(2-FURYL)PHOSPHINO]FERROCENYL]ETHYLDI(3,5-XYLYL)PHOSPHINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250210 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-174609
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 | Shanghai | Inquiry |
649559-66-0 / (R)-1-[(S)-2-[DI(2-FURYL)PHOSPHINO]FERROCENYL]ETHYLDI(3,5-XYLYL)PHOSPHINE
Basic Information
CAS
649559-66-0
Multi CAS
Yes
Molecular Formula
C36H36FEO2P2
Molecular Weight
618.500000
Exact Mass
618.153990
InChI
InChI=1S/C31H31O2P2.C5H5.Fe/c1-21-15-22(2)18-26(17-21)34(27-19-23(3)16-24(4)20-27)25(5)28-9-6-10-29(28)35(30-11-7-13-32-30)31-12-8-14-33-31;1-2-4-5-3-1;/h6-20,25H,1-5H3;1-5H;/t25-;;/m0../s1
InChIKey
RSLVVMYIUWTJGJ-WLOLSGMKSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
22
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
174.13
TPSA
26.28
LogP / Solubility
WLOGP
8.4
MLOGP
7.44
XLogP3
8.4
Consensus LogP
8.08
Log S (ESOL)
-8.9
Class (ESOL)
Insoluble
Log S (Ali)
-10.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.49
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.53
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
6
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