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CAS 162291-01-2 (S,S)-1-(DICYCLOHEXYLPHOSPHINO)-2-[1-(DIPHENYLPHOSPHINO)ETHYL]FERROCENE molecular structure lightbox
CAS RN: 162291-01-2

(S,S)-1-(DICYCLOHEXYLPHOSPHINO)-2-[1-(DIPHENYLPHOSPHINO)ETHYL]FERROCENE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260403 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250601 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260114 1g In stock Shanghai Inquiry
Batchno.20260129 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260103 5g In stock Shanghai Inquiry
  • Product code: SSC-069846
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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: min. 97%
  • 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 162291-01-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g min. 97% 0 Out of Stock Hong Kong Inquiry

162291-01-2 / (S,S)-1-(DICYCLOHEXYLPHOSPHINO)-2-[1-(DIPHENYLPHOSPHINO)ETHYL]FERROCENE

Standard CAS: 162291-01-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
162291-01-2
Multi CAS
No
Molecular Formula
C36H44FeP2
Molecular Weight
594.500000
Exact Mass
594.226761
SMILES
C[C@@H]([C]1C=CC=C1P(C2CCCCC2)C3CCCCC3)P(C4=CC=CC=C4)C5=CC=CC=C5.C1=C[CH]C=C1.[Fe]
InChI
InChI=1S/C31H39P2.C5H5.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h2-3,6-9,14-18,23-25,28-29H,4-5,10-13,19-22H2,1H3;1-5H;/t25-;;/m0../s1
InChIKey
AWOOIDCKLIQAJV-WLOLSGMKSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
7
Molar refractivity
172.25
TPSA
0.0000

LogP / Solubility

WLOGP
10
MLOGP
8.85
XLogP3
10
Consensus LogP
9.62
Log S (ESOL)
-9.59
Class (ESOL)
Insoluble
Log S (Ali)
-11.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.66
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)
0.75

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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