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CAS 163169-12-8 (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene molecular structure lightbox
CAS RN: 163169-12-8

(2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 100mg In stock Inquiry
Batchno.20260604 1g In stock Inquiry
Batchno.20250725 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250702 1g In stock Shanghai Inquiry
Batchno.20260608 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260122 5g In stock Shanghai Inquiry
  • Product code: SSC-070847
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 163169-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

163169-12-8 / (2R)-1-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene

Standard CAS: 163169-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163169-12-8
Multi CAS
No
Molecular Formula
C31H26FeNOP
Molecular Weight
515.400000
Exact Mass
515.110137
SMILES
C1C(N=C(O1)[C]2[CH][CH][CH][C]2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe]
InChI
InChI=1S/C26H21NOP.C5H5.Fe/c1-4-11-20(12-5-1)24-19-28-26(27-24)23-17-10-18-25(23)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22;1-2-4-5-3-1;/h1-18,24H,19H2;1-5H;
InChIKey
QHWSWZGJUBBRJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
142.53
TPSA
21.59

LogP / Solubility

WLOGP
6.04
MLOGP
5.35
XLogP3
6.04
Consensus LogP
5.81
Log S (ESOL)
-6.89
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
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)
-1.57

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
4.5

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