![CAS 178557-28-3 (R)-4-tert-Butyl-2-[(R)-2-(bis(1-phenyl)-phosphino)ferrocen-1-yl]oxazoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/178557-28-3.gif)
CAS RN: 178557-28-3
(R)-4-tert-Butyl-2-[(R)-2-(bis(1-phenyl)-phosphino)ferrocen-1-yl]oxazoline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260422 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-079459
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
178557-28-3 / [5-[(4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane;cyclopenta-1,3-diene;iron(2+)
Basic Information
CAS
178557-28-3
Multi CAS
No
Molecular Formula
C29H30FeNOP
Molecular Weight
495.400000
Exact Mass
495.141437
SMILES
CC(C)(C)[C@H]1COC(=C2C=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)[N-]1.[CH-]1C=CC=C1.[Fe+2]
InChI
InChI=1S/C24H30NOP.C5H10.Fe/c1-24(2,3)22-17-26-23(25-22)20-15-10-16-21(20)27(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;/h4-9,11-14,20-22H,10,15-17H2,1-3H3;1-5H2;/t20?,21?,22-;;/m1../s1
InChIKey
MUHDYVQFEIUFON-LHDNRSKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
137.91
TPSA
23.33
LogP / Solubility
WLOGP
7.01
MLOGP
6.2
XLogP3
7.01
Consensus LogP
6.74
Log S (ESOL)
-7.51
Class (ESOL)
Insoluble
Log S (Ali)
-8.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.06
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)
-0.77
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
4
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