CAS RN: 503859-61-8
(RP)-2-(TERT-BUTYLTHIO)-1-(DIPHENYLPHOS&
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-156894
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 | Beijing | Inquiry |
503859-61-8 / (2-tert-butylsulfanylcyclopenta-2,4-dien-1-yl)-diphenylphosphane;cyclopenta-1,3-diene;iron(2+)
Basic Information
CAS
503859-61-8
Multi CAS
Yes
Molecular Formula
C26H27FEPS
Molecular Weight
458.400000
Exact Mass
458.092045
InChI
InChI=1S/C21H22PS.C5H5.Fe/c1-21(2,3)23-20-16-10-15-19(20)22(17-11-6-4-7-12-17)18-13-8-5-9-14-18;1-2-4-5-3-1;/h4-16H,1-3H3;1-5H;/q2*-1;+2
InChIKey
GASXLROKFOTRGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
22
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
128.39
TPSA
25.3000
LogP / Solubility
WLOGP
6.46
MLOGP
5.71
XLogP3
6.46
Consensus LogP
6.21
Log S (ESOL)
-7.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
(S)-2-(4-fluorophenyl)Morpholine hydrochloride
- CAS RN: 503860-58-0
- Product Code: SSC-156899
-
-
-
N-(6-BroMoiMidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetaMide
- CAS RN: 504413-35-8
- Product Code: SSC-156990
-
-
![CAS 504413-26-7 2-a]pyridin-2-yl)acetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/504413-26-7.gif)
![CAS 504413-35-8 N-(6-BroMoiMidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/504413-35-8.gif)
